Hydrolapachol , CAS No.3343-38-2

CAS: 3343-38-2 Cat. No.: H667971 Molecular Weight: 244.28 PubChem CID: 76864
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Synonyms
Hydrolapachol | 4-hydroxy-3-(3-methylbutyl)naphthalene-1,2-dione | 1,4-Naphthalenedione, 2-hydroxy-3-(3-methylbutyl)- | 2-hydroxy-3-isopentylnaphthalene-1,4-dione | 1,4-Naphthoquinone, 2-hydroxy-3-isopentyl- | NSC 26695 | 1, 2-hydroxy-3-isopentyl- | DTXSI
Storage
Room temperature
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Size
Status
Price
Qty
1mg
H667971-1mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$571.90

$999.90
Save $428.00 (42.80%)
5mg
H667971-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$1,999.90

$2,999.90
Save $1,000.00 (33.33%)
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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships 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.

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Literature proof

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

Specifications

Synonyms
Hydrolapachol | 4-hydroxy-3-(3-methylbutyl)naphthalene-1, 2-dione | 1, 4-Naphthalenedione, 2-hydroxy-3-(3-methylbutyl)- | 2-hydroxy-3-isopentylnaphthalene-1, 4-dione | 1, 4-Naphthoquinone, 2-hydroxy-3-isopentyl- | NSC 26695 | 1, 2-hydroxy-3-isopentyl- | DTXSI
Storage
Room temperature
Product Properties
ALogP3
Names and Identifiers
Canonical SmilesCC(C)CCC1=C(C2=CC=CC=C2C(=O)C1=O)O
IUPAC Name4-hydroxy-3-(3-methylbutyl)naphthalene-1,2-dione
InChIKeyQRPDDFAMKSERCS-UHFFFAOYSA-N
INCHI1S/C15H16O3/c1-9(2)7-8-12-13(16)10-5-3-4-6-11(10)14(17)15(12)18/h3-6,9,16H,7-8H2,1-2H3
Isomeric SMILES CC(C)CCC1=C(C2=CC=CC=C2C(=O)C1=O)O
PubChem CID 76864
Molecular Weight 244.28

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.

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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
SuperclassBenzenoids
ClassNaphthalenes
SubclassNaphthoquinones
Intermediate Tree Nodes Not available
Direct ParentNaphthoquinones
Alternative Parents Naphthols and derivatives  Quinones  Aryl ketones  Vinylogous acids  Enols  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homopolycyclic compounds
Substituents Naphthoquinone - 1-naphthol - Aryl ketone - Quinone - Vinylogous acid - Cyclic ketone - Ketone - Enol - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homopolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as naphthoquinones. These are compounds containing a naphthohydroquinone moiety, which consists of a benzene ring linearly fused to a bezene-1,4-dione (quinone).
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
DHODH Tclin Dihydroorotate dehydrogenase (2737 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HCT-8 (3484 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HL-60 (67320 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SF-295 (48000 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MDA-MB-435 (38290 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PBMC (10003 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Mycobacterium tuberculosis (203094 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Plasmodium berghei (192651 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:
Chemical and Physical Properties
Molecular Weight244.280 g/mol
XLogP33.000
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass244.11 Da
Monoisotopic Mass244.11 Da
Topological Polar Surface Area54.400 Ų
Heavy Atom Count18
Formal Charge0
Complexity393.000
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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