C16H13BrClN5OS
TL;DR: C16H13BrClN5OS (CAS 579442-03-8) is a chemical compound with molecular formula C16H13BrClN5OS and molecular weight 436.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-amino-5-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-bromophenyl)acetamide
Also Known As: 2-[4-amino-5-(3-chlorophenyl)(1,2,4-triazol-3-ylthio)]-N-(3-bromophenyl)acetam ide, 2-[[4-amino-5-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-bromophenyl)acetamide, 2-((4-amino-5-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-bromophenyl)acetamide, 2-{[4-amino-5-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-bromophenyl)acetamide
| Molecular Formula | C16H13BrClN5OS |
|---|---|
| Molecular Weight | 436.97 g/mol |
| LogP | 3.8056 |
| Topological Polar Surface Area | 85.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 436.97128 |
| Heavy Atoms | 25 |
| Complexity | 917.04565 |
Chemical Identifiers
| CAS Number | 579442-03-8 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)C2=NN=C(N2N)SCC(=O)NC3=CC(=CC=C3)Br |
Product Overview
C16H13BrClN5OS (CAS 579442-03-8), with molecular formula C16H13BrClN5OS and molecular weight 436.97 g/mol. IUPAC: 2-[[4-amino-5-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-bromophenyl)acetamide.
Chemical Property Profile of C16H13BrClN5OS
Property Insights of C16H13BrClN5OS
The XLogP value of 3.8056 indicates that C16H13BrClN5OS is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.83 Ų falls within the moderate polarity range, balancing permeability and solubility for C16H13BrClN5OS. Following Lipinski's Rule of Five, C16H13BrClN5OS has 2 hydrogen bond donor(s) and 5 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 C16H13BrClN5OS?
The CAS number of C16H13BrClN5OS is 579442-03-8.
What is the molecular formula of C16H13BrClN5OS?
The molecular formula of C16H13BrClN5OS is C16H13BrClN5OS.
What is the molecular weight of C16H13BrClN5OS?
The molecular weight of C16H13BrClN5OS is 436.97 g/mol.
Where can I buy C16H13BrClN5OS?
You can request a quote for C16H13BrClN5OS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C16H13BrClN5OS?
Yes, KEHONG BIO provides custom synthesis services for C16H13BrClN5OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.