Cyclohexa-1,3-diene-1-carboxylic acid
TL;DR: Cyclohexa-1,3-diene-1-carboxylic acid (CAS 26764-36-3) is a chemical compound with molecular formula C7H8O2 and molecular weight 124.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyclohexa-1,3-diene-1-carboxylic acid
Also Known As: 2,3-dihydrobenzoic acid, Cyclohexadienecarboxylicacid, 2,3-DIHYDROBENZOICACID, cyclohexa-1,3-diene-1-carboxylic acid, 1,3-cyclohexadiene-1-carboxylic acid
| Molecular Formula | C7H8O2 |
|---|---|
| Molecular Weight | 124.05 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 124.05243 |
| Heavy Atoms | 9 |
| Complexity | 177.0 |
Chemical Identifiers
| CAS Number | 26764-36-3 |
|---|---|
| SMILES | C1CC(=CC=C1)C(=O)O |
| InChIKey | APGFPQCBDNWQSB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cyclohexa-1,3-diene-1-carboxylic acid (CAS 26764-36-3), with molecular formula C7H8O2 and molecular weight 124.05 g/mol. IUPAC: cyclohexa-1,3-diene-1-carboxylic acid.
Chemical Property Profile of Cyclohexa-1,3-diene-1-carboxylic acid
Property Insights of Cyclohexa-1,3-diene-1-carboxylic acid
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclohexa-1,3-diene-1-carboxylic acid. With a topological polar surface area (TPSA) of 37.3 Ų, Cyclohexa-1,3-diene-1-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclohexa-1,3-diene-1-carboxylic acid has 1 hydrogen bond donor(s) and 2 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 Cyclohexa-1,3-diene-1-carboxylic acid?
The CAS number of Cyclohexa-1,3-diene-1-carboxylic acid is 26764-36-3.
What is the molecular formula of Cyclohexa-1,3-diene-1-carboxylic acid?
The molecular formula of Cyclohexa-1,3-diene-1-carboxylic acid is C7H8O2.
What is the molecular weight of Cyclohexa-1,3-diene-1-carboxylic acid?
The molecular weight of Cyclohexa-1,3-diene-1-carboxylic acid is 124.05 g/mol.
Where can I buy Cyclohexa-1,3-diene-1-carboxylic acid?
You can request a quote for Cyclohexa-1,3-diene-1-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclohexa-1,3-diene-1-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for Cyclohexa-1,3-diene-1-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.