N-(1-azepanylcarbonothioyl)-2,4-dichlorobenzamide
TL;DR: N-(1-azepanylcarbonothioyl)-2,4-dichlorobenzamide (CAS 642952-01-0) is a chemical compound with molecular formula C14H16Cl2N2OS and molecular weight 330.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(azepane-1-carbothioyl)-2,4-dichlorobenzamide
Also Known As: N-(azepane-1-carbothioyl)-2,4-dichlorobenzamide, N-(1-azepanylcarbonothioyl)-2,4-dichlorobenzamide, N-(azepan-1-ylcarbonothioyl)-2,4-dichlorobenzamide, N-(1-azepanylcarbothioyl)-2,4-dichlorobenzamide, AN-329/41572637
| Molecular Formula | C14H16Cl2N2OS |
|---|---|
| Molecular Weight | 330.04 g/mol |
| LogP | 3.8841 |
| Topological Polar Surface Area | 32.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 330.03604 |
| Heavy Atoms | 20 |
| Complexity | 513.8954 |
Chemical Identifiers
| CAS Number | 642952-01-0 |
|---|---|
| SMILES | C1CCCN(CC1)C(=S)NC(=O)C2=C(C=C(C=C2)Cl)Cl |
Product Overview
N-(1-azepanylcarbonothioyl)-2,4-dichlorobenzamide (CAS 642952-01-0), with molecular formula C14H16Cl2N2OS and molecular weight 330.04 g/mol. IUPAC: N-(azepane-1-carbothioyl)-2,4-dichlorobenzamide.
Chemical Property Profile of N-(1-azepanylcarbonothioyl)-2,4-dichlorobenzamide
Property Insights of N-(1-azepanylcarbonothioyl)-2,4-dichlorobenzamide
The XLogP value of 3.8841 indicates that N-(1-azepanylcarbonothioyl)-2,4-dichlorobenzamide 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-(1-azepanylcarbonothioyl)-2,4-dichlorobenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1-azepanylcarbonothioyl)-2,4-dichlorobenzamide has 1 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 N-(1-azepanylcarbonothioyl)-2,4-dichlorobenzamide?
The CAS number of N-(1-azepanylcarbonothioyl)-2,4-dichlorobenzamide is 642952-01-0.
What is the molecular formula of N-(1-azepanylcarbonothioyl)-2,4-dichlorobenzamide?
The molecular formula of N-(1-azepanylcarbonothioyl)-2,4-dichlorobenzamide is C14H16Cl2N2OS.
What is the molecular weight of N-(1-azepanylcarbonothioyl)-2,4-dichlorobenzamide?
The molecular weight of N-(1-azepanylcarbonothioyl)-2,4-dichlorobenzamide is 330.04 g/mol.
Where can I buy N-(1-azepanylcarbonothioyl)-2,4-dichlorobenzamide?
You can request a quote for N-(1-azepanylcarbonothioyl)-2,4-dichlorobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1-azepanylcarbonothioyl)-2,4-dichlorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1-azepanylcarbonothioyl)-2,4-dichlorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.