1,4-Cyclohexadiene-1-carboxylic acid
TL;DR: 1,4-Cyclohexadiene-1-carboxylic acid (CAS 4315-35-9) 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-1,4-diene-1-carboxylic acid
Also Known As: 2,5-dihydrobenzoic acid, 1,4-Cyclohexadiene-1-carboxylic acid, Cyclohexa-1,4-dienecarboxylic acid, cyclohexa-1,4-diene-1-carboxylic acid, 1,4-Cyclohexadiene-1-carboxylicacid
| 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 | 4315-35-9 |
|---|---|
| SMILES | C1C=CCC(=C1)C(=O)O |
| InChIKey | XCSQXCKDEVRTHN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-Cyclohexadiene-1-carboxylic acid (CAS 4315-35-9), with molecular formula C7H8O2 and molecular weight 124.05 g/mol. IUPAC: cyclohexa-1,4-diene-1-carboxylic acid.
Chemical Property Profile of 1,4-Cyclohexadiene-1-carboxylic acid
Property Insights of 1,4-Cyclohexadiene-1-carboxylic acid
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Cyclohexadiene-1-carboxylic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 1,4-Cyclohexadiene-1-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Cyclohexadiene-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 1,4-Cyclohexadiene-1-carboxylic acid?
The CAS number of 1,4-Cyclohexadiene-1-carboxylic acid is 4315-35-9.
What is the molecular formula of 1,4-Cyclohexadiene-1-carboxylic acid?
The molecular formula of 1,4-Cyclohexadiene-1-carboxylic acid is C7H8O2.
What is the molecular weight of 1,4-Cyclohexadiene-1-carboxylic acid?
The molecular weight of 1,4-Cyclohexadiene-1-carboxylic acid is 124.05 g/mol.
Where can I buy 1,4-Cyclohexadiene-1-carboxylic acid?
You can request a quote for 1,4-Cyclohexadiene-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 1,4-Cyclohexadiene-1-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Cyclohexadiene-1-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.