C17H14Br2ClN5OS
TL;DR: C17H14Br2ClN5OS (CAS 768373-71-3) is a chemical compound with molecular formula C17H14Br2ClN5OS and molecular weight 528.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,6-dibromo-4-methylphenyl)acetamide
Also Known As: 2-{[4-amino-5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,6-dibromo-4-methylphenyl)acetamide, 2-((4-amino-5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2,6-dibromo-4-methylphenyl)acetamide, 2-[[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,6-dibromo-4-methylphenyl)acetamide, 2-[4-amino-5-(4-chlorophenyl)(1,2,4-triazol-3-ylthio)]-N-(2,6-dibromo-4-methyl phenyl)acetamide
| Molecular Formula | C17H14Br2ClN5OS |
|---|---|
| Molecular Weight | 528.90 g/mol |
| LogP | 4.87652 |
| Topological Polar Surface Area | 85.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 528.8974 |
| Heavy Atoms | 27 |
| Complexity | 970.484 |
Chemical Identifiers
| CAS Number | 768373-71-3 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)Br)NC(=O)CSC2=NN=C(N2N)C3=CC=C(C=C3)Cl)Br |
Product Overview
C17H14Br2ClN5OS (CAS 768373-71-3), with molecular formula C17H14Br2ClN5OS and molecular weight 528.90 g/mol. IUPAC: 2-[[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,6-dibromo-4-methylphenyl)acetamide.
Chemical Property Profile of C17H14Br2ClN5OS
Property Insights of C17H14Br2ClN5OS
The XLogP value of 4.87652 indicates that C17H14Br2ClN5OS 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 C17H14Br2ClN5OS. Following Lipinski's Rule of Five, C17H14Br2ClN5OS has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C17H14Br2ClN5OS?
The CAS number of C17H14Br2ClN5OS is 768373-71-3.
What is the molecular formula of C17H14Br2ClN5OS?
The molecular formula of C17H14Br2ClN5OS is C17H14Br2ClN5OS.
What is the molecular weight of C17H14Br2ClN5OS?
The molecular weight of C17H14Br2ClN5OS is 528.90 g/mol.
Where can I buy C17H14Br2ClN5OS?
You can request a quote for C17H14Br2ClN5OS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C17H14Br2ClN5OS?
Yes, KEHONG BIO provides custom synthesis services for C17H14Br2ClN5OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.