N-(3-Chloro-4-methylphenyl)-1-azepanecarboxamide
TL;DR: N-(3-Chloro-4-methylphenyl)-1-azepanecarboxamide (CAS 838880-12-9) is a chemical compound with molecular formula C14H19ClN2O and molecular weight 266.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chloro-4-methylphenyl)azepane-1-carboxamide
Also Known As: N-(3-chloro-4-methylphenyl)-1-azepanecarboxamide, N-(3-chloro-4-methylphenyl)azepane-1-carboxamide, AP-124/43382977, azaperhydroepinyl-N-(3-chloro-4-methylphenyl)carboxamide, 665-511-9
| Molecular Formula | C14H19ClN2O |
|---|---|
| Molecular Weight | 266.12 g/mol |
| LogP | 4.05632 |
| Topological Polar Surface Area | 32.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 266.1186 |
| Heavy Atoms | 18 |
| Complexity | 425.80222 |
Chemical Identifiers
| CAS Number | 838880-12-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)N2CCCCCC2)Cl |
Product Overview
N-(3-Chloro-4-methylphenyl)-1-azepanecarboxamide (CAS 838880-12-9), with molecular formula C14H19ClN2O and molecular weight 266.12 g/mol. IUPAC: N-(3-chloro-4-methylphenyl)azepane-1-carboxamide.
Chemical Property Profile of N-(3-Chloro-4-methylphenyl)-1-azepanecarboxamide
Property Insights of N-(3-Chloro-4-methylphenyl)-1-azepanecarboxamide
The XLogP value of 4.05632 indicates that N-(3-Chloro-4-methylphenyl)-1-azepanecarboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.34 Ų, N-(3-Chloro-4-methylphenyl)-1-azepanecarboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3-Chloro-4-methylphenyl)-1-azepanecarboxamide 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 N-(3-Chloro-4-methylphenyl)-1-azepanecarboxamide?
The CAS number of N-(3-Chloro-4-methylphenyl)-1-azepanecarboxamide is 838880-12-9.
What is the molecular formula of N-(3-Chloro-4-methylphenyl)-1-azepanecarboxamide?
The molecular formula of N-(3-Chloro-4-methylphenyl)-1-azepanecarboxamide is C14H19ClN2O.
What is the molecular weight of N-(3-Chloro-4-methylphenyl)-1-azepanecarboxamide?
The molecular weight of N-(3-Chloro-4-methylphenyl)-1-azepanecarboxamide is 266.12 g/mol.
Where can I buy N-(3-Chloro-4-methylphenyl)-1-azepanecarboxamide?
You can request a quote for N-(3-Chloro-4-methylphenyl)-1-azepanecarboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-Chloro-4-methylphenyl)-1-azepanecarboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-Chloro-4-methylphenyl)-1-azepanecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.