3-(3,6-Dioxocyclohexa-1,4-dien-1-yl)benzoic acid
TL;DR: 3-(3,6-Dioxocyclohexa-1,4-dien-1-yl)benzoic acid (CAS 356790-94-8) 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.
3-(3,6-dioxocyclohexa-1,4-dien-1-yl)benzoic acid
Also Known As: 3-(3,6-dioxocyclohexa-1,4-dien-1-yl)benzoic acid, J2.788.225K, 3-(3,6-Dioxocyclohexa-1,4-dienyl)benzoic acid, 3-(2,5-dioxocyclohexa-1(6),3-dienyl)benzoic acid, 3-(3,6-dioxo-1-cyclohexa-1,4-dienyl)benzoic Acid
| Molecular Formula | C13H8O4 |
|---|---|
| Molecular Weight | 228.04 g/mol |
| LogP | 1.4762 |
| Topological Polar Surface Area | 71.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 228.04225 |
| Heavy Atoms | 17 |
| Complexity | 578.83716 |
Chemical Identifiers
| CAS Number | 356790-94-8 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(=O)O)C2=CC(=O)C=CC2=O |
Product Overview
3-(3,6-Dioxocyclohexa-1,4-dien-1-yl)benzoic acid (CAS 356790-94-8), with molecular formula C13H8O4 and molecular weight 228.04 g/mol. IUPAC: 3-(3,6-dioxocyclohexa-1,4-dien-1-yl)benzoic acid.
Chemical Property Profile of 3-(3,6-Dioxocyclohexa-1,4-dien-1-yl)benzoic acid
Property Insights of 3-(3,6-Dioxocyclohexa-1,4-dien-1-yl)benzoic acid
The XLogP value of 1.4762 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3,6-Dioxocyclohexa-1,4-dien-1-yl)benzoic acid. The TPSA of 71.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3,6-Dioxocyclohexa-1,4-dien-1-yl)benzoic acid. Following Lipinski's Rule of Five, 3-(3,6-Dioxocyclohexa-1,4-dien-1-yl)benzoic acid has 1 hydrogen bond donor(s) and 3 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 3-(3,6-Dioxocyclohexa-1,4-dien-1-yl)benzoic acid?
The CAS number of 3-(3,6-Dioxocyclohexa-1,4-dien-1-yl)benzoic acid is 356790-94-8.
What is the molecular formula of 3-(3,6-Dioxocyclohexa-1,4-dien-1-yl)benzoic acid?
The molecular formula of 3-(3,6-Dioxocyclohexa-1,4-dien-1-yl)benzoic acid is C13H8O4.
What is the molecular weight of 3-(3,6-Dioxocyclohexa-1,4-dien-1-yl)benzoic acid?
The molecular weight of 3-(3,6-Dioxocyclohexa-1,4-dien-1-yl)benzoic acid is 228.04 g/mol.
Where can I buy 3-(3,6-Dioxocyclohexa-1,4-dien-1-yl)benzoic acid?
You can request a quote for 3-(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 3-(3,6-Dioxocyclohexa-1,4-dien-1-yl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(3,6-Dioxocyclohexa-1,4-dien-1-yl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.