6-(4-Fluoro-phenylcarbamoyl)-3,4-dimethyl-cyclohex-3-enecarboxylic acid
TL;DR: 6-(4-Fluoro-phenylcarbamoyl)-3,4-dimethyl-cyclohex-3-enecarboxylic acid (CAS 401629-70-7) is a chemical compound with molecular formula C16H18FNO3 and molecular weight 291.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(4-fluorophenyl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
Also Known As: BAS 02988324, 6-(4-Fluoro-phenylcarbamoyl)-3,4-dimethyl-cyclohex-3-enecarboxylic acid, 6-[(4-fluorophenyl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid, 6-((4-Fluorophenyl)carbamoyl)-3,4-dimethylcyclohex-3-enecarboxylic acid, 6-((4-Fluorophenyl)carbamoyl)-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
| Molecular Formula | C16H18FNO3 |
|---|---|
| Molecular Weight | 291.13 g/mol |
| LogP | 3.2114 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 291.12708 |
| Heavy Atoms | 21 |
| Complexity | 592.04456 |
Chemical Identifiers
| CAS Number | 401629-70-7 |
|---|---|
| SMILES | CC1=C(CC(C(C1)C(=O)NC2=CC=C(C=C2)F)C(=O)O)C |
Product Overview
6-(4-Fluoro-phenylcarbamoyl)-3,4-dimethyl-cyclohex-3-enecarboxylic acid (CAS 401629-70-7), with molecular formula C16H18FNO3 and molecular weight 291.13 g/mol. IUPAC: 6-[(4-fluorophenyl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid.
Chemical Property Profile of 6-(4-Fluoro-phenylcarbamoyl)-3,4-dimethyl-cyclohex-3-enecarboxylic acid
Property Insights of 6-(4-Fluoro-phenylcarbamoyl)-3,4-dimethyl-cyclohex-3-enecarboxylic acid
The XLogP value of 3.2114 indicates that 6-(4-Fluoro-phenylcarbamoyl)-3,4-dimethyl-cyclohex-3-enecarboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(4-Fluoro-phenylcarbamoyl)-3,4-dimethyl-cyclohex-3-enecarboxylic acid. Following Lipinski's Rule of Five, 6-(4-Fluoro-phenylcarbamoyl)-3,4-dimethyl-cyclohex-3-enecarboxylic acid has 2 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-(4-Fluoro-phenylcarbamoyl)-3,4-dimethyl-cyclohex-3-enecarboxylic acid?
The CAS number of 6-(4-Fluoro-phenylcarbamoyl)-3,4-dimethyl-cyclohex-3-enecarboxylic acid is 401629-70-7.
What is the molecular formula of 6-(4-Fluoro-phenylcarbamoyl)-3,4-dimethyl-cyclohex-3-enecarboxylic acid?
The molecular formula of 6-(4-Fluoro-phenylcarbamoyl)-3,4-dimethyl-cyclohex-3-enecarboxylic acid is C16H18FNO3.
What is the molecular weight of 6-(4-Fluoro-phenylcarbamoyl)-3,4-dimethyl-cyclohex-3-enecarboxylic acid?
The molecular weight of 6-(4-Fluoro-phenylcarbamoyl)-3,4-dimethyl-cyclohex-3-enecarboxylic acid is 291.13 g/mol.
Where can I buy 6-(4-Fluoro-phenylcarbamoyl)-3,4-dimethyl-cyclohex-3-enecarboxylic acid?
You can request a quote for 6-(4-Fluoro-phenylcarbamoyl)-3,4-dimethyl-cyclohex-3-enecarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(4-Fluoro-phenylcarbamoyl)-3,4-dimethyl-cyclohex-3-enecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 6-(4-Fluoro-phenylcarbamoyl)-3,4-dimethyl-cyclohex-3-enecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.