C22H17BrClN5OS
TL;DR: C22H17BrClN5OS (CAS 477329-87-6) is a chemical compound with molecular formula C22H17BrClN5OS and molecular weight 513.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(4-bromophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-chloro-2-methylphenyl)acetamide
Also Known As: SALOR-INT L243396-1EA, 2-{[4-(4-bromophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chloro-2-methylphenyl)acetamide, 2-((4-(4-Bromophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-chloro-2-methylphenyl)acetamide, 2-{[4-(4-BROMOPHENYL)-5-(3-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-N-(3-CHLORO-2-METHYLPHENYL)ACETAMIDE, 2-((4-(4-Bromophenyl)-5-(3-pyridinyl)-4H-1,2,4-triazol-3-YL)sulfanyl)-N-(3-chloro-2-methylphenyl)acetamide
| Molecular Formula | C22H17BrClN5OS |
|---|---|
| Molecular Weight | 513.00 g/mol |
| LogP | 5.78442 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 513.00256 |
| Heavy Atoms | 31 |
| Complexity | 1214.5657 |
Chemical Identifiers
| CAS Number | 477329-87-6 |
|---|---|
| SMILES | CC1=C(C=CC=C1Cl)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Br)C4=CN=CC=C4 |
Product Overview
C22H17BrClN5OS (CAS 477329-87-6), with molecular formula C22H17BrClN5OS and molecular weight 513.00 g/mol. IUPAC: 2-[[4-(4-bromophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-chloro-2-methylphenyl)acetamide.
Chemical Property Profile of C22H17BrClN5OS
Property Insights of C22H17BrClN5OS
The XLogP value of 5.78442 indicates that C22H17BrClN5OS is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.7 Ų falls within the moderate polarity range, balancing permeability and solubility for C22H17BrClN5OS. Following Lipinski's Rule of Five, C22H17BrClN5OS has 1 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 C22H17BrClN5OS?
The CAS number of C22H17BrClN5OS is 477329-87-6.
What is the molecular formula of C22H17BrClN5OS?
The molecular formula of C22H17BrClN5OS is C22H17BrClN5OS.
What is the molecular weight of C22H17BrClN5OS?
The molecular weight of C22H17BrClN5OS is 513.00 g/mol.
Where can I buy C22H17BrClN5OS?
You can request a quote for C22H17BrClN5OS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C22H17BrClN5OS?
Yes, KEHONG BIO provides custom synthesis services for C22H17BrClN5OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.