![6-{[(3-Chlorobenzyl)amino]carbonyl}-3,4-dimethyl-3-cyclohexene-1-carboxylic acid structure](/static/products/899/899587-83-8.png)
6-{[(3-Chlorobenzyl)amino]carbonyl}-3,4-dimethyl-3-cyclohexene-1-carboxylic acid
TL;DR: 6-{[(3-Chlorobenzyl)amino]carbonyl}-3,4-dimethyl-3-cyclohexene-1-carboxylic acid (CAS 899587-83-8) is a chemical compound with molecular formula C17H20ClNO3 and molecular weight 321.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(3-chlorophenyl)methylcarbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
Also Known As: 6-{[(3-chlorobenzyl)amino]carbonyl}-3,4-dimethyl-3-cyclohexene-1-carboxylic acid, 6-((3-chlorobenzyl)carbamoyl)-3,4-dimethylcyclohex-3-enecarboxylic acid, 6-[(3-chlorobenzyl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid, 6-[(3-chlorophenyl)methylcarbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylic Acid, 6-[(3-chlorophenyl)methylcarbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
| Molecular Formula | C17H20ClNO3 |
|---|---|
| Molecular Weight | 321.11 g/mol |
| LogP | 3.4034 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 321.11316 |
| Heavy Atoms | 22 |
| Complexity | 624.085 |
Chemical Identifiers
| CAS Number | 899587-83-8 |
|---|---|
| SMILES | CC1=C(CC(C(C1)C(=O)NCC2=CC(=CC=C2)Cl)C(=O)O)C |
Product Overview
6-{[(3-Chlorobenzyl)amino]carbonyl}-3,4-dimethyl-3-cyclohexene-1-carboxylic acid (CAS 899587-83-8), with molecular formula C17H20ClNO3 and molecular weight 321.11 g/mol. IUPAC: 6-[(3-chlorophenyl)methylcarbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid.
Chemical Property Profile of 6-{[(3-Chlorobenzyl)amino]carbonyl}-3,4-dimethyl-3-cyclohexene-1-carboxylic acid
Property Insights of 6-{[(3-Chlorobenzyl)amino]carbonyl}-3,4-dimethyl-3-cyclohexene-1-carboxylic acid
The XLogP value of 3.4034 indicates that 6-{[(3-Chlorobenzyl)amino]carbonyl}-3,4-dimethyl-3-cyclohexene-1-carboxylic 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-{[(3-Chlorobenzyl)amino]carbonyl}-3,4-dimethyl-3-cyclohexene-1-carboxylic acid. Following Lipinski's Rule of Five, 6-{[(3-Chlorobenzyl)amino]carbonyl}-3,4-dimethyl-3-cyclohexene-1-carboxylic 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-{[(3-Chlorobenzyl)amino]carbonyl}-3,4-dimethyl-3-cyclohexene-1-carboxylic acid?
The CAS number of 6-{[(3-Chlorobenzyl)amino]carbonyl}-3,4-dimethyl-3-cyclohexene-1-carboxylic acid is 899587-83-8.
What is the molecular formula of 6-{[(3-Chlorobenzyl)amino]carbonyl}-3,4-dimethyl-3-cyclohexene-1-carboxylic acid?
The molecular formula of 6-{[(3-Chlorobenzyl)amino]carbonyl}-3,4-dimethyl-3-cyclohexene-1-carboxylic acid is C17H20ClNO3.
What is the molecular weight of 6-{[(3-Chlorobenzyl)amino]carbonyl}-3,4-dimethyl-3-cyclohexene-1-carboxylic acid?
The molecular weight of 6-{[(3-Chlorobenzyl)amino]carbonyl}-3,4-dimethyl-3-cyclohexene-1-carboxylic acid is 321.11 g/mol.
Where can I buy 6-{[(3-Chlorobenzyl)amino]carbonyl}-3,4-dimethyl-3-cyclohexene-1-carboxylic acid?
You can request a quote for 6-{[(3-Chlorobenzyl)amino]carbonyl}-3,4-dimethyl-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 6-{[(3-Chlorobenzyl)amino]carbonyl}-3,4-dimethyl-3-cyclohexene-1-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 6-{[(3-Chlorobenzyl)amino]carbonyl}-3,4-dimethyl-3-cyclohexene-1-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.