N-(azepan-1-ylcarbonothioyl)-2-bromobenzamide
TL;DR: N-(azepan-1-ylcarbonothioyl)-2-bromobenzamide (CAS 642946-28-9) is a chemical compound with molecular formula C14H17BrN2OS and molecular weight 340.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(azepane-1-carbothioyl)-2-bromobenzamide
Also Known As: N-(1-azepanylcarbonothioyl)-2-bromobenzamide, N-(azepan-1-ylcarbonothioyl)-2-bromobenzamide, N-(azepane-1-carbothioyl)-2-bromobenzamide
| Molecular Formula | C14H17BrN2OS |
|---|---|
| Molecular Weight | 340.02 g/mol |
| LogP | 3.3398 |
| Topological Polar Surface Area | 32.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 340.0245 |
| Heavy Atoms | 19 |
| Complexity | 470.2687 |
Chemical Identifiers
| CAS Number | 642946-28-9 |
|---|---|
| SMILES | C1CCCN(CC1)C(=S)NC(=O)C2=CC=CC=C2Br |
Product Overview
N-(azepan-1-ylcarbonothioyl)-2-bromobenzamide (CAS 642946-28-9), with molecular formula C14H17BrN2OS and molecular weight 340.02 g/mol. IUPAC: N-(azepane-1-carbothioyl)-2-bromobenzamide.
Chemical Property Profile of N-(azepan-1-ylcarbonothioyl)-2-bromobenzamide
Property Insights of N-(azepan-1-ylcarbonothioyl)-2-bromobenzamide
The XLogP value of 3.3398 indicates that N-(azepan-1-ylcarbonothioyl)-2-bromobenzamide 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-(azepan-1-ylcarbonothioyl)-2-bromobenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(azepan-1-ylcarbonothioyl)-2-bromobenzamide 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-(azepan-1-ylcarbonothioyl)-2-bromobenzamide?
The CAS number of N-(azepan-1-ylcarbonothioyl)-2-bromobenzamide is 642946-28-9.
What is the molecular formula of N-(azepan-1-ylcarbonothioyl)-2-bromobenzamide?
The molecular formula of N-(azepan-1-ylcarbonothioyl)-2-bromobenzamide is C14H17BrN2OS.
What is the molecular weight of N-(azepan-1-ylcarbonothioyl)-2-bromobenzamide?
The molecular weight of N-(azepan-1-ylcarbonothioyl)-2-bromobenzamide is 340.02 g/mol.
Where can I buy N-(azepan-1-ylcarbonothioyl)-2-bromobenzamide?
You can request a quote for N-(azepan-1-ylcarbonothioyl)-2-bromobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(azepan-1-ylcarbonothioyl)-2-bromobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(azepan-1-ylcarbonothioyl)-2-bromobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.