C19H16BrClN4OS
TL;DR: C19H16BrClN4OS (CAS 861644-05-5) is a chemical compound with molecular formula C19H16BrClN4OS and molecular weight 461.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-bromophenyl)-2-[[5-(2-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: N-(3-bromophenyl)-2-[[5-(2-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(3-bromophenyl)-2-{[5-(2-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, 2-((4-allyl-5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-bromophenyl)acetamide, N-(3-bromophenyl)-2-[5-(2-chlorophenyl)-4-prop-2-enyl(1,2,4-triazol-3-ylthio)] acetamide
| Molecular Formula | C19H16BrClN4OS |
|---|---|
| Molecular Weight | 461.99 g/mol |
| LogP | 5.2778 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 461.99167 |
| Heavy Atoms | 27 |
| Complexity | 975.84845 |
Chemical Identifiers
| CAS Number | 861644-05-5 |
|---|---|
| SMILES | C=CCN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)Br)C3=CC=CC=C3Cl |
Product Overview
C19H16BrClN4OS (CAS 861644-05-5), with molecular formula C19H16BrClN4OS and molecular weight 461.99 g/mol. IUPAC: N-(3-bromophenyl)-2-[[5-(2-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of C19H16BrClN4OS
Property Insights of C19H16BrClN4OS
The XLogP value of 5.2778 indicates that C19H16BrClN4OS is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.81 Ų, C19H16BrClN4OS exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C19H16BrClN4OS 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 C19H16BrClN4OS?
The CAS number of C19H16BrClN4OS is 861644-05-5.
What is the molecular formula of C19H16BrClN4OS?
The molecular formula of C19H16BrClN4OS is C19H16BrClN4OS.
What is the molecular weight of C19H16BrClN4OS?
The molecular weight of C19H16BrClN4OS is 461.99 g/mol.
Where can I buy C19H16BrClN4OS?
You can request a quote for C19H16BrClN4OS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C19H16BrClN4OS?
Yes, KEHONG BIO provides custom synthesis services for C19H16BrClN4OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.