1,4,4a,5,8,8a-Hexahydro-5-hydroxy-8-oxo-1-naphthalenecarboxylic acid
TL;DR: 1,4,4a,5,8,8a-Hexahydro-5-hydroxy-8-oxo-1-naphthalenecarboxylic acid (CAS 6943-52-8) is a chemical compound with molecular formula C11H12O4 and molecular weight 208.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-hydroxy-8-oxo-4,4a,5,8a-tetrahydro-1H-naphthalene-1-carboxylic acid
Also Known As: 5-hydroxy-8-oxo-1,4,4a,5,8,8a-hexahydronaphthalene-1-carboxylic acid, 1,4,4A,5,8,8A-HEXAHYDRO-5-HYDROXY-8-OXO-1-NAPHTHALENECARBOXYLIC ACID, 5,8-diketo-1,4,4a,5,8,8a-hexahydronaphthalene-1-carboxylic acid, 5-hydroxy-8-oxo-4,4a,5,8a-tetrahydro-1H-naphthalene-1-carboxylic acid, 663-079-6
| Molecular Formula | C11H12O4 |
|---|---|
| Molecular Weight | 208.07 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 208.07356 |
| Heavy Atoms | 15 |
| Complexity | 356.0 |
Chemical Identifiers
| CAS Number | 6943-52-8 |
|---|---|
| SMILES | C1C=CC(C2C1C(C=CC2=O)O)C(=O)O |
| InChIKey | IZTKKSDDRFMLJJ-UHFFFAOYSA-N |
Product Overview
1,4,4a,5,8,8a-Hexahydro-5-hydroxy-8-oxo-1-naphthalenecarboxylic acid (CAS 6943-52-8), with molecular formula C11H12O4 and molecular weight 208.07 g/mol. IUPAC: 5-hydroxy-8-oxo-4,4a,5,8a-tetrahydro-1H-naphthalene-1-carboxylic acid.
Chemical Property Profile of 1,4,4a,5,8,8a-Hexahydro-5-hydroxy-8-oxo-1-naphthalenecarboxylic acid
Property Insights of 1,4,4a,5,8,8a-Hexahydro-5-hydroxy-8-oxo-1-naphthalenecarboxylic acid
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4,4a,5,8,8a-Hexahydro-5-hydroxy-8-oxo-1-naphthalenecarboxylic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4,4a,5,8,8a-Hexahydro-5-hydroxy-8-oxo-1-naphthalenecarboxylic acid. Following Lipinski's Rule of Five, 1,4,4a,5,8,8a-Hexahydro-5-hydroxy-8-oxo-1-naphthalenecarboxylic acid has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,4,4a,5,8,8a-Hexahydro-5-hydroxy-8-oxo-1-naphthalenecarboxylic acid?
The CAS number of 1,4,4a,5,8,8a-Hexahydro-5-hydroxy-8-oxo-1-naphthalenecarboxylic acid is 6943-52-8.
What is the molecular formula of 1,4,4a,5,8,8a-Hexahydro-5-hydroxy-8-oxo-1-naphthalenecarboxylic acid?
The molecular formula of 1,4,4a,5,8,8a-Hexahydro-5-hydroxy-8-oxo-1-naphthalenecarboxylic acid is C11H12O4.
What is the molecular weight of 1,4,4a,5,8,8a-Hexahydro-5-hydroxy-8-oxo-1-naphthalenecarboxylic acid?
The molecular weight of 1,4,4a,5,8,8a-Hexahydro-5-hydroxy-8-oxo-1-naphthalenecarboxylic acid is 208.07 g/mol.
Where can I buy 1,4,4a,5,8,8a-Hexahydro-5-hydroxy-8-oxo-1-naphthalenecarboxylic acid?
You can request a quote for 1,4,4a,5,8,8a-Hexahydro-5-hydroxy-8-oxo-1-naphthalenecarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4,4a,5,8,8a-Hexahydro-5-hydroxy-8-oxo-1-naphthalenecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1,4,4a,5,8,8a-Hexahydro-5-hydroxy-8-oxo-1-naphthalenecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.