Azepane-1-carboxylic acid (3,4-dichloro-phenyl)-amide
TL;DR: Azepane-1-carboxylic acid (3,4-dichloro-phenyl)-amide (CAS 38044-97-2) is a chemical compound with molecular formula C13H16Cl2N2O and molecular weight 286.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3,4-dichlorophenyl)azepane-1-carboxamide
Also Known As: N-(3,4-dichlorophenyl)azepane-1-carboxamide, N-(3,4-dichlorophenyl)-1-azepanecarboxamide, AP-124/42842401, azaperhydroepinyl-N-(3,4-dichlorophenyl)carboxamide, AZEPANE-1-CARBOXYLIC ACID (3,4-DICHLORO-PHENYL)-AMIDE
| Molecular Formula | C13H16Cl2N2O |
|---|---|
| Molecular Weight | 286.06 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 32.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 286.06396 |
| Heavy Atoms | 18 |
| Complexity | 280.0 |
Chemical Identifiers
| CAS Number | 38044-97-2 |
|---|---|
| SMILES | C1CCCN(CC1)C(=O)NC2=CC(=C(C=C2)Cl)Cl |
| InChIKey | YYMPFTKVJYBPIP-UHFFFAOYSA-N |
Product Overview
Azepane-1-carboxylic acid (3,4-dichloro-phenyl)-amide (CAS 38044-97-2), with molecular formula C13H16Cl2N2O and molecular weight 286.06 g/mol. IUPAC: N-(3,4-dichlorophenyl)azepane-1-carboxamide.
Chemical Property Profile of Azepane-1-carboxylic acid (3,4-dichloro-phenyl)-amide
Property Insights of Azepane-1-carboxylic acid (3,4-dichloro-phenyl)-amide
The XLogP value of 4.4 indicates that Azepane-1-carboxylic acid (3,4-dichloro-phenyl)-amide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.3 Ų, Azepane-1-carboxylic acid (3,4-dichloro-phenyl)-amide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Azepane-1-carboxylic acid (3,4-dichloro-phenyl)-amide has 1 hydrogen bond donor(s) and 1 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 Azepane-1-carboxylic acid (3,4-dichloro-phenyl)-amide?
The CAS number of Azepane-1-carboxylic acid (3,4-dichloro-phenyl)-amide is 38044-97-2.
What is the molecular formula of Azepane-1-carboxylic acid (3,4-dichloro-phenyl)-amide?
The molecular formula of Azepane-1-carboxylic acid (3,4-dichloro-phenyl)-amide is C13H16Cl2N2O.
What is the molecular weight of Azepane-1-carboxylic acid (3,4-dichloro-phenyl)-amide?
The molecular weight of Azepane-1-carboxylic acid (3,4-dichloro-phenyl)-amide is 286.06 g/mol.
Where can I buy Azepane-1-carboxylic acid (3,4-dichloro-phenyl)-amide?
You can request a quote for Azepane-1-carboxylic acid (3,4-dichloro-phenyl)-amide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Azepane-1-carboxylic acid (3,4-dichloro-phenyl)-amide?
Yes, KEHONG BIO provides custom synthesis services for Azepane-1-carboxylic acid (3,4-dichloro-phenyl)-amide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.