Benzoyl Leuco Methylene Blue - ≥96% , CAS No.1249-97-4

CAS: 1249-97-4 Cat. No.: B152861 Molecular Weight: 389.52 EC Number: 215-005-5
AVAILABLE TO ORDER
GRADE & PURITY ≥96%
Synonyms
10-Benzoyl-3,7-bis(dimethylamino)-10H-phenothiazine | N-benzoylleuco methylene blue | 4-aminomethylbenzylalcohol | Benzoylleucomethyleneblue | B0207 | N-Benzoylleucomethylene Blue | Benzoylleukomethylene blue | Methanone, [3,7-bis(dimethylamino)-10H-pheno
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
1g
B152861-1g
3
$9.90
5g
B152861-5g
9
$10.90
25g
B152861-25g
5

$16.90

$25.90
Save $9.00 (34.75%)
Enter a quantity for the sizes you want to add.
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Why this grade

≥96% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
10-Benzoyl-3, 7-bis(dimethylamino)-10H-phenothiazine | N-benzoylleuco methylene blue | 4-aminomethylbenzylalcohol | Benzoylleucomethyleneblue | B0207 | N-Benzoylleucomethylene Blue | Benzoylleukomethylene blue | Methanone, [3, 7-bis(dimethylamino)-10H-pheno
Specifications & Purity
≥96%
Storage
Room temperature
Shipped In
Normal
Purity
≥96%
Names and Identifiers
Canonical SmilesCN(C)C1=CC2=C(C=C1)N(C3=C(S2)C=C(C=C3)N(C)C)C(=O)C4=CC=CC=C4
IUPAC Name[3,7-bis(dimethylamino)phenothiazin-10-yl]-phenylmethanone
InChIKeyZKURGBYDCVNWKH-UHFFFAOYSA-N
INCHI1S/C23H23N3OS/c1-24(2)17-10-12-19-21(14-17)28-22-15-18(25(3)4)11-13-20(22)26(19)23(27)16-8-6-5-7-9-16/h5-15H,1-4H3
Isomeric SMILES CN(C)C1=CC2=C(C=C1)N(C3=C(S2)C=C(C=C3)N(C)C)C(=O)C4=CC=CC=C4
Molecular Weight 389.52
Reaxy-Rn 48057
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=48057&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassBenzothiazines
SubclassPhenothiazines
Intermediate Tree Nodes Not available
Direct ParentPhenothiazines
Alternative Parents Diarylthioethers  Benzamides  Dialkylarylamines  Benzoyl derivatives  1,4-thiazines  Tertiary carboxylic acid amides  Amino acids and derivatives  Azacyclic compounds  Organopnictogen compounds  Organooxygen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Phenothiazine - Diarylthioether - Benzamide - Benzoic acid or derivatives - Aryl thioether - Benzoyl - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Monocyclic benzene moiety - Benzenoid - Para-thiazine - Tertiary carboxylic acid amide - Tertiary amine - Amino acid or derivatives - Carboxamide group - Azacycle - Thioether - Carboxylic acid derivative - Organic oxygen compound - Amine - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as phenothiazines. These are polycyclic aromatic compounds containing a phenothiazine moiety, which is a linear tricyclic system that consists of a two benzene rings joined by a para-thiazine ring.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Huh-7 (12904 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KDM4A Tchem Lysine-specific demethylase 4A (52245 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
L3MBTL1 Tchem Lethal(3)malignant brain tumor-like protein 1 (14536 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BAZ2B Tchem Bromodomain adjacent to zinc finger domain protein 2B (56204 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Mapk1 MAP kinase ERK2 (650 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Pseudomonas aeruginosa (123386 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Klebsiella pneumoniae (43867 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Staphylococcus aureus (210822 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Acinetobacter baumannii (41033 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Escherichia coli (133304 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Saccharomyces cerevisiae (19171 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Plasmodium falciparum (966862 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Cryptococcus neoformans (21258 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Candida albicans (78123 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Plasmodium yoelii (6656 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Internal ribosome entry site (IRES) (199 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

3 results found

Lot NumberCertificate TypeDateItem
G2131113Certificate of AnalysisMar 07, 2025 B152861
G2131114Certificate of AnalysisMar 07, 2025 B152861
G2131115Certificate of AnalysisMar 07, 2025 B152861
Chemical and Physical Properties
Melt Point(°C)198 °C
Molecular Weight389.500 g/mol
XLogP34.900
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass389.156 Da
Monoisotopic Mass389.156 Da
Topological Polar Surface Area52.100 Ų
Heavy Atom Count28
Formal Charge0
Complexity516.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
Reviews

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