5,8-Dioxo-1,4,4A,5,8,8A-hexahydro-1-naphthalenecarboxylic acid
TL;DR: 5,8-Dioxo-1,4,4A,5,8,8A-hexahydro-1-naphthalenecarboxylic acid (CAS 7144-75-4) is a chemical compound with molecular formula C11H10O4 and molecular weight 206.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,8-dioxo-1,4,4a,8a-tetrahydronaphthalene-1-carboxylic acid
Also Known As: 5,8-dioxo-1,4,4a,5,8,8a-hexahydronaphthalene-1-carboxylic acid, J3.370.493C, 5,8-DIOXO-1,4,4A,5,8,8A-HEXAHYDRO-1-NAPHTHALENECARBOXYLIC ACID, 5,8-dioxo-1,4,4a,8a-tetrahydronaphthalene-1-carboxylic acid, 622-304-8
| Molecular Formula | C11H10O4 |
|---|---|
| Molecular Weight | 206.06 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 71.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 206.0579 |
| Heavy Atoms | 15 |
| Complexity | 391.0 |
Chemical Identifiers
| CAS Number | 7144-75-4 |
|---|---|
| SMILES | C1C=CC(C2C1C(=O)C=CC2=O)C(=O)O |
| InChIKey | HMHYLJXNGHJBJD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5,8-Dioxo-1,4,4A,5,8,8A-hexahydro-1-naphthalenecarboxylic acid (CAS 7144-75-4), with molecular formula C11H10O4 and molecular weight 206.06 g/mol. IUPAC: 5,8-dioxo-1,4,4a,8a-tetrahydronaphthalene-1-carboxylic acid.
Chemical Property Profile of 5,8-Dioxo-1,4,4A,5,8,8A-hexahydro-1-naphthalenecarboxylic acid
Property Insights of 5,8-Dioxo-1,4,4A,5,8,8A-hexahydro-1-naphthalenecarboxylic acid
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,8-Dioxo-1,4,4A,5,8,8A-hexahydro-1-naphthalenecarboxylic acid. The TPSA of 71.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 5,8-Dioxo-1,4,4A,5,8,8A-hexahydro-1-naphthalenecarboxylic acid. Following Lipinski's Rule of Five, 5,8-Dioxo-1,4,4A,5,8,8A-hexahydro-1-naphthalenecarboxylic acid has 1 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 5,8-Dioxo-1,4,4A,5,8,8A-hexahydro-1-naphthalenecarboxylic acid?
The CAS number of 5,8-Dioxo-1,4,4A,5,8,8A-hexahydro-1-naphthalenecarboxylic acid is 7144-75-4.
What is the molecular formula of 5,8-Dioxo-1,4,4A,5,8,8A-hexahydro-1-naphthalenecarboxylic acid?
The molecular formula of 5,8-Dioxo-1,4,4A,5,8,8A-hexahydro-1-naphthalenecarboxylic acid is C11H10O4.
What is the molecular weight of 5,8-Dioxo-1,4,4A,5,8,8A-hexahydro-1-naphthalenecarboxylic acid?
The molecular weight of 5,8-Dioxo-1,4,4A,5,8,8A-hexahydro-1-naphthalenecarboxylic acid is 206.06 g/mol.
Where can I buy 5,8-Dioxo-1,4,4A,5,8,8A-hexahydro-1-naphthalenecarboxylic acid?
You can request a quote for 5,8-Dioxo-1,4,4A,5,8,8A-hexahydro-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 5,8-Dioxo-1,4,4A,5,8,8A-hexahydro-1-naphthalenecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5,8-Dioxo-1,4,4A,5,8,8A-hexahydro-1-naphthalenecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.