4-(3,6-Dioxocyclohexa-1,4-dien-1-yl)benzoic acid
TL;DR: 4-(3,6-Dioxocyclohexa-1,4-dien-1-yl)benzoic acid (CAS 30681-28-8) is a chemical compound with molecular formula C13H8O4 and molecular weight 228.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3,6-dioxocyclohexa-1,4-dien-1-yl)benzoic acid
Also Known As: 4-(1,4-Benzoquinonyl)benzoic acid, 4-(3,6-dioxocyclohexa-1,4-dien-1-yl)benzoic acid, AB00084275-01, Benzoic acid, 4-(3,6-dioxo-1,4-cyclohexadien-1-yl)-, 4-(3,6-Dioxo-1,4-cyclohexadien-1-yl)benzoic acid #
| Molecular Formula | C13H8O4 |
|---|---|
| Molecular Weight | 228.04 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 71.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 228.04225 |
| Heavy Atoms | 17 |
| Complexity | 423.0 |
Chemical Identifiers
| CAS Number | 30681-28-8 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=CC(=O)C=CC2=O)C(=O)O |
| InChIKey | NPIYULNKQVGPNM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(3,6-Dioxocyclohexa-1,4-dien-1-yl)benzoic acid (CAS 30681-28-8), with molecular formula C13H8O4 and molecular weight 228.04 g/mol. IUPAC: 4-(3,6-dioxocyclohexa-1,4-dien-1-yl)benzoic acid.
Chemical Property Profile of 4-(3,6-Dioxocyclohexa-1,4-dien-1-yl)benzoic acid
Property Insights of 4-(3,6-Dioxocyclohexa-1,4-dien-1-yl)benzoic acid
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3,6-Dioxocyclohexa-1,4-dien-1-yl)benzoic acid. The TPSA of 71.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3,6-Dioxocyclohexa-1,4-dien-1-yl)benzoic acid. Following Lipinski's Rule of Five, 4-(3,6-Dioxocyclohexa-1,4-dien-1-yl)benzoic 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 4-(3,6-Dioxocyclohexa-1,4-dien-1-yl)benzoic acid?
The CAS number of 4-(3,6-Dioxocyclohexa-1,4-dien-1-yl)benzoic acid is 30681-28-8.
What is the molecular formula of 4-(3,6-Dioxocyclohexa-1,4-dien-1-yl)benzoic acid?
The molecular formula of 4-(3,6-Dioxocyclohexa-1,4-dien-1-yl)benzoic acid is C13H8O4.
What is the molecular weight of 4-(3,6-Dioxocyclohexa-1,4-dien-1-yl)benzoic acid?
The molecular weight of 4-(3,6-Dioxocyclohexa-1,4-dien-1-yl)benzoic acid is 228.04 g/mol.
Where can I buy 4-(3,6-Dioxocyclohexa-1,4-dien-1-yl)benzoic acid?
You can request a quote for 4-(3,6-Dioxocyclohexa-1,4-dien-1-yl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3,6-Dioxocyclohexa-1,4-dien-1-yl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(3,6-Dioxocyclohexa-1,4-dien-1-yl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.