C18H16BrClN4OS
TL;DR: C18H16BrClN4OS (CAS 861111-38-8) is a chemical compound with molecular formula C18H16BrClN4OS and molecular weight 449.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-bromophenyl)-2-[[5-(3-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: N-(3-bromophenyl)-2-[[5-(3-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(3-bromophenyl)-2-{[5-(3-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(3-bromophenyl)-2-((5-(3-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetamide, N-(3-bromophenyl)-2-[5-(3-chlorophenyl)-4-ethyl(1,2,4-triazol-3-ylthio)]acetam ide
| Molecular Formula | C18H16BrClN4OS |
|---|---|
| Molecular Weight | 449.99 g/mol |
| LogP | 5.1117 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 449.99167 |
| Heavy Atoms | 26 |
| Complexity | 931.0595 |
Chemical Identifiers
| CAS Number | 861111-38-8 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)Br)C3=CC(=CC=C3)Cl |
Product Overview
C18H16BrClN4OS (CAS 861111-38-8), with molecular formula C18H16BrClN4OS and molecular weight 449.99 g/mol. IUPAC: N-(3-bromophenyl)-2-[[5-(3-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of C18H16BrClN4OS
Property Insights of C18H16BrClN4OS
The XLogP value of 5.1117 indicates that C18H16BrClN4OS is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.81 Ų, C18H16BrClN4OS exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C18H16BrClN4OS has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C18H16BrClN4OS?
The CAS number of C18H16BrClN4OS is 861111-38-8.
What is the molecular formula of C18H16BrClN4OS?
The molecular formula of C18H16BrClN4OS is C18H16BrClN4OS.
What is the molecular weight of C18H16BrClN4OS?
The molecular weight of C18H16BrClN4OS is 449.99 g/mol.
Where can I buy C18H16BrClN4OS?
You can request a quote for C18H16BrClN4OS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C18H16BrClN4OS?
Yes, KEHONG BIO provides custom synthesis services for C18H16BrClN4OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.