Cis-N-(4-(ethoxycarbonyl)phenyl)hexahydrophthalamic acid
TL;DR: Cis-N-(4-(ethoxycarbonyl)phenyl)hexahydrophthalamic acid (CAS 17716-20-0) is a chemical compound with molecular formula C17H21NO5 and molecular weight 319.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cis-(1S,2R)-2-[(4-ethoxycarbonylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
Also Known As: BAS 00329180, CIS-N-(4-(ETHOXYCARBONYL)PHENYL)HEXAHYDROPHTHALAMIC ACID, (1S,2R)-2-[(4-ethoxycarbonylphenyl)carbamoyl]cyclohexane-1-carboxylic acid, 666-271-8, RefChem:577411
| Molecular Formula | C17H21NO5 |
|---|---|
| Molecular Weight | 319.14 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 319.14197 |
| Heavy Atoms | 23 |
| Complexity | 442.0 |
Chemical Identifiers
| CAS Number | 17716-20-0 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O |
| InChIKey | IOLUJWPGKYFKOB-KGLIPLIRSA-N |
Product Overview
Cis-N-(4-(ethoxycarbonyl)phenyl)hexahydrophthalamic acid (CAS 17716-20-0), with molecular formula C17H21NO5 and molecular weight 319.14 g/mol. IUPAC: cis-(1S,2R)-2-[(4-ethoxycarbonylphenyl)carbamoyl]cyclohexane-1-carboxylic acid.
Chemical Property Profile of Cis-N-(4-(ethoxycarbonyl)phenyl)hexahydrophthalamic acid
Property Insights of Cis-N-(4-(ethoxycarbonyl)phenyl)hexahydrophthalamic acid
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cis-N-(4-(ethoxycarbonyl)phenyl)hexahydrophthalamic acid. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Cis-N-(4-(ethoxycarbonyl)phenyl)hexahydrophthalamic acid. Following Lipinski's Rule of Five, Cis-N-(4-(ethoxycarbonyl)phenyl)hexahydrophthalamic acid has 2 hydrogen bond donor(s) and 5 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-(4-(ethoxycarbonyl)phenyl)hexahydrophthalamic acid?
The CAS number of Cis-N-(4-(ethoxycarbonyl)phenyl)hexahydrophthalamic acid is 17716-20-0.
What is the molecular formula of Cis-N-(4-(ethoxycarbonyl)phenyl)hexahydrophthalamic acid?
The molecular formula of Cis-N-(4-(ethoxycarbonyl)phenyl)hexahydrophthalamic acid is C17H21NO5.
What is the molecular weight of Cis-N-(4-(ethoxycarbonyl)phenyl)hexahydrophthalamic acid?
The molecular weight of Cis-N-(4-(ethoxycarbonyl)phenyl)hexahydrophthalamic acid is 319.14 g/mol.
Where can I buy Cis-N-(4-(ethoxycarbonyl)phenyl)hexahydrophthalamic acid?
You can request a quote for Cis-N-(4-(ethoxycarbonyl)phenyl)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-(4-(ethoxycarbonyl)phenyl)hexahydrophthalamic acid?
Yes, KEHONG BIO provides custom synthesis services for Cis-N-(4-(ethoxycarbonyl)phenyl)hexahydrophthalamic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.