Cis-N-(2-chlorophenyl)hexahydrophthalamic acid
TL;DR: Cis-N-(2-chlorophenyl)hexahydrophthalamic acid (CAS 17716-14-2) is a chemical compound with molecular formula C14H16ClNO3 and molecular weight 281.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cis-(1S,2R)-2-[(2-chlorophenyl)carbamoyl]cyclohexane-1-carboxylic acid
Also Known As: CIS-N-(2-CHLOROPHENYL)HEXAHYDROPHTHALAMIC ACID, 2-{[(2-chlorophenyl)amino]carbonyl}cyclohexanecarboxylic acid, (1S,2R)-2-[(2-chlorophenyl)carbamoyl]cyclohexane-1-carboxylic acid, (1S,2R)-2-[N-(2-chlorophenyl)carbamoyl]cyclohexanecarboxylic acid, 668-472-6
| Molecular Formula | C14H16ClNO3 |
|---|---|
| Molecular Weight | 281.08 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 281.08188 |
| Heavy Atoms | 19 |
| Complexity | 348.0 |
Chemical Identifiers
| CAS Number | 17716-14-2 |
|---|---|
| SMILES | C1CC[C@@H]([C@@H](C1)C(=O)NC2=CC=CC=C2Cl)C(=O)O |
| InChIKey | GWTZBHJKEUEFMK-ZJUUUORDSA-N |
Product Overview
Cis-N-(2-chlorophenyl)hexahydrophthalamic acid (CAS 17716-14-2), with molecular formula C14H16ClNO3 and molecular weight 281.08 g/mol. IUPAC: cis-(1S,2R)-2-[(2-chlorophenyl)carbamoyl]cyclohexane-1-carboxylic acid.
Chemical Property Profile of Cis-N-(2-chlorophenyl)hexahydrophthalamic acid
Property Insights of Cis-N-(2-chlorophenyl)hexahydrophthalamic acid
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cis-N-(2-chlorophenyl)hexahydrophthalamic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Cis-N-(2-chlorophenyl)hexahydrophthalamic acid. Following Lipinski's Rule of Five, Cis-N-(2-chlorophenyl)hexahydrophthalamic acid has 2 hydrogen bond donor(s) and 3 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 Cis-N-(2-chlorophenyl)hexahydrophthalamic acid?
The CAS number of Cis-N-(2-chlorophenyl)hexahydrophthalamic acid is 17716-14-2.
What is the molecular formula of Cis-N-(2-chlorophenyl)hexahydrophthalamic acid?
The molecular formula of Cis-N-(2-chlorophenyl)hexahydrophthalamic acid is C14H16ClNO3.
What is the molecular weight of Cis-N-(2-chlorophenyl)hexahydrophthalamic acid?
The molecular weight of Cis-N-(2-chlorophenyl)hexahydrophthalamic acid is 281.08 g/mol.
Where can I buy Cis-N-(2-chlorophenyl)hexahydrophthalamic acid?
You can request a quote for Cis-N-(2-chlorophenyl)hexahydrophthalamic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cis-N-(2-chlorophenyl)hexahydrophthalamic acid?
Yes, KEHONG BIO provides custom synthesis services for Cis-N-(2-chlorophenyl)hexahydrophthalamic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.