6-Phenylcyclohex-3-ene-1-carboxylic acid
TL;DR: 6-Phenylcyclohex-3-ene-1-carboxylic acid (CAS 66879-03-6) is a chemical compound with molecular formula C13H14O2 and molecular weight 202.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-phenylcyclohex-3-ene-1-carboxylic acid
Also Known As: 6-phenylcyclohex-3-ene-1-carboxylic acid, 6-Phenylcyclohex-3-enecarboxylic acid, 6-PHENYL-CYCLOHEX-3-ENECARBOXYLIC ACID, trans-2-Phenyl-4-cyclohexen-1-carbonsaeure, 6-Phenyl-3-cyclohexene-1-carboxylic acid #
| Molecular Formula | C13H14O2 |
|---|---|
| Molecular Weight | 202.10 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 202.09938 |
| Heavy Atoms | 15 |
| Complexity | 251.0 |
Chemical Identifiers
| CAS Number | 66879-03-6 |
|---|---|
| SMILES | C1C=CCC(C1C2=CC=CC=C2)C(=O)O |
| InChIKey | KVZGDUKDAJKXOF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Phenylcyclohex-3-ene-1-carboxylic acid (CAS 66879-03-6), with molecular formula C13H14O2 and molecular weight 202.10 g/mol. IUPAC: 6-phenylcyclohex-3-ene-1-carboxylic acid.
Chemical Property Profile of 6-Phenylcyclohex-3-ene-1-carboxylic acid
Property Insights of 6-Phenylcyclohex-3-ene-1-carboxylic acid
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Phenylcyclohex-3-ene-1-carboxylic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 6-Phenylcyclohex-3-ene-1-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Phenylcyclohex-3-ene-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 6-Phenylcyclohex-3-ene-1-carboxylic acid?
The CAS number of 6-Phenylcyclohex-3-ene-1-carboxylic acid is 66879-03-6.
What is the molecular formula of 6-Phenylcyclohex-3-ene-1-carboxylic acid?
The molecular formula of 6-Phenylcyclohex-3-ene-1-carboxylic acid is C13H14O2.
What is the molecular weight of 6-Phenylcyclohex-3-ene-1-carboxylic acid?
The molecular weight of 6-Phenylcyclohex-3-ene-1-carboxylic acid is 202.10 g/mol.
Where can I buy 6-Phenylcyclohex-3-ene-1-carboxylic acid?
You can request a quote for 6-Phenylcyclohex-3-ene-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 6-Phenylcyclohex-3-ene-1-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 6-Phenylcyclohex-3-ene-1-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.