5-Ethyl-6-methyl-4-phenyl-3-cyclohexene-1-carboxylic acid
TL;DR: 5-Ethyl-6-methyl-4-phenyl-3-cyclohexene-1-carboxylic acid (CAS 7698-97-7) is a chemical compound with molecular formula C16H20O2 and molecular weight 244.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-ethyl-6-methyl-4-phenylcyclohex-3-ene-1-carboxylic acid
Also Known As: FENESTREL, Fenestrelo, Fenestrelum, Mebane sodium salt, Demethoxyhoggolic acid
| Molecular Formula | C16H20O2 |
|---|---|
| Molecular Weight | 244.15 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 244.14633 |
| Heavy Atoms | 18 |
| Complexity | 326.0 |
Chemical Identifiers
| CAS Number | 7698-97-7 |
|---|---|
| SMILES | CCC1C(C(CC=C1C2=CC=CC=C2)C(=O)O)C |
| InChIKey | CLMFEXDZPBGYQQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Ethyl-6-methyl-4-phenyl-3-cyclohexene-1-carboxylic acid (CAS 7698-97-7), with molecular formula C16H20O2 and molecular weight 244.15 g/mol. IUPAC: 5-ethyl-6-methyl-4-phenylcyclohex-3-ene-1-carboxylic acid.
Chemical Property Profile of 5-Ethyl-6-methyl-4-phenyl-3-cyclohexene-1-carboxylic acid
Property Insights of 5-Ethyl-6-methyl-4-phenyl-3-cyclohexene-1-carboxylic acid
The XLogP value of 3.8 indicates that 5-Ethyl-6-methyl-4-phenyl-3-cyclohexene-1-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 5-Ethyl-6-methyl-4-phenyl-3-cyclohexene-1-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Ethyl-6-methyl-4-phenyl-3-cyclohexene-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 5-Ethyl-6-methyl-4-phenyl-3-cyclohexene-1-carboxylic acid?
The CAS number of 5-Ethyl-6-methyl-4-phenyl-3-cyclohexene-1-carboxylic acid is 7698-97-7.
What is the molecular formula of 5-Ethyl-6-methyl-4-phenyl-3-cyclohexene-1-carboxylic acid?
The molecular formula of 5-Ethyl-6-methyl-4-phenyl-3-cyclohexene-1-carboxylic acid is C16H20O2.
What is the molecular weight of 5-Ethyl-6-methyl-4-phenyl-3-cyclohexene-1-carboxylic acid?
The molecular weight of 5-Ethyl-6-methyl-4-phenyl-3-cyclohexene-1-carboxylic acid is 244.15 g/mol.
Where can I buy 5-Ethyl-6-methyl-4-phenyl-3-cyclohexene-1-carboxylic acid?
You can request a quote for 5-Ethyl-6-methyl-4-phenyl-3-cyclohexene-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 5-Ethyl-6-methyl-4-phenyl-3-cyclohexene-1-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Ethyl-6-methyl-4-phenyl-3-cyclohexene-1-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.