6-Benzyloxypurine - ≥98%(HPLC) , CAS No.57500-07-9

CAS: 57500-07-9 Cat. No.: B152909 Molecular Weight: 226.24 EC Number: 622-936-4
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GRADE & PURITY ≥98%(HPLC)
Synonyms
AC-19698 | Purine, 6-benzyloxy- | AKOS015904887 | DTXSID70357472 | 6-Benzyloxypurine | 6-benzyl-oxypurine | 6-(benzyloxy)-9H-purine | 6-(benzyloxy)-7H-purine | AS-57966 | BDBM50562408 | 6-Benzyloxypurine, 99% | D89007 | B3355 | ZZZXGPGVDJDFCJ-UHFFFAOYSA-N
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
1g
B152909-1g
1

$12.90

$19.90
Save $7.00 (35.18%)
5g
B152909-5g
1

$45.90

$68.90
Save $23.00 (33.38%)
25g
B152909-25g
1

$168.90

$253.90
Save $85.00 (33.48%)
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Why this grade

≥98%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

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

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Quality documents

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

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Literature proof

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

Specifications

Synonyms
AC-19698 | Purine, 6-benzyloxy- | AKOS015904887 | DTXSID70357472 | 6-Benzyloxypurine | 6-benzyl-oxypurine | 6-(benzyloxy)-9H-purine | 6-(benzyloxy)-7H-purine | AS-57966 | BDBM50562408 | 6-Benzyloxypurine, 99% | D89007 | B3355 | ZZZXGPGVDJDFCJ-UHFFFAOYSA-N
Specifications & Purity
≥98%(HPLC)
Storage
Room temperature
Shipped In
Normal
Purity
≥98%(HPLC)
Names and Identifiers
Canonical SmilesC1=CC=C(C=C1)COC2=NC=NC3=C2NC=N3
IUPAC Name6-phenylmethoxy-7H-purine
InChIKeyZZZXGPGVDJDFCJ-UHFFFAOYSA-N
INCHI1S/C12H10N4O/c1-2-4-9(5-3-1)6-17-12-10-11(14-7-13-10)15-8-16-12/h1-5,7-8H,6H2,(H,13,14,15,16)
Isomeric SMILES C1=CC=C(C=C1)COC2=NC=NC3=C2NC=N3
WGK Germany 3
Molecular Weight 226.24
Reaxy-Rn 5870753
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5870753&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.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassImidazopyrimidines
SubclassPurines and purine derivatives
Intermediate Tree Nodes Purinones
Direct ParentHypoxanthines
Alternative Parents Alkyl aryl ethers  Pyrimidines and pyrimidine derivatives  Benzene and substituted derivatives  Imidazoles  Heteroaromatic compounds  Azacyclic compounds  Organopnictogen compounds  Organonitrogen compounds  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Hypoxanthine - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Pyrimidine - Azole - Heteroaromatic compound - Imidazole - Ether - Azacycle - Hydrocarbon derivative - Organic nitrogen compound - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as hypoxanthines. These are compounds containing the purine derivative 1H-purin-6(9H)-one. Purine is a bicyclic aromatic compound made up of a pyrimidine ring fused to an imidazole ring.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
MGMT Tchem 6-O-methylguanine-DNA methyltransferase (451 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.

6 results found

Lot NumberCertificate TypeDateItem
E2522124Certificate of AnalysisNov 21, 2024 B152909
E2522188Certificate of AnalysisNov 21, 2024 B152909
E2522189Certificate of AnalysisNov 21, 2024 B152909
E2522190Certificate of AnalysisNov 21, 2024 B152909
E2522191Certificate of AnalysisNov 21, 2024 B152909
E2522192Certificate of AnalysisNov 21, 2024 B152909
Chemical and Physical Properties
Melt Point(°C)173-175℃
Molecular Weight226.230 g/mol
XLogP32.100
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass226.085 Da
Monoisotopic Mass226.085 Da
Topological Polar Surface Area63.700 Ų
Heavy Atom Count17
Formal Charge0
Complexity245.000
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
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