C23H18BrClN4OS
TL;DR: C23H18BrClN4OS (CAS 896815-50-2) is a chemical compound with molecular formula C23H18BrClN4OS and molecular weight 512.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-bromo-3-methylphenyl)-2-[[5-(3-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: N-(4-bromo-3-methylphenyl)-2-{[5-(3-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(4-bromo-3-methyl-phenyl)-2-[[5-(3-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(4-bromo-3-methylphenyl)-2-((5-(3-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamide, N-(4-bromo-3-methylphenyl)-2-[[5-(3-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(4-bromo-3-methylphenyl)-2-[5-(3-chlorophenyl)-4-phenyl(1,2,4-triazol-3-ylth io)]acetamide
| Molecular Formula | C23H18BrClN4OS |
|---|---|
| Molecular Weight | 512.01 g/mol |
| LogP | 6.38942 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 512.0073 |
| Heavy Atoms | 31 |
| Complexity | 1229.491 |
Chemical Identifiers
| CAS Number | 896815-50-2 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC(=CC=C4)Cl)Br |
Product Overview
C23H18BrClN4OS (CAS 896815-50-2), with molecular formula C23H18BrClN4OS and molecular weight 512.01 g/mol. IUPAC: N-(4-bromo-3-methylphenyl)-2-[[5-(3-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of C23H18BrClN4OS
Property Insights of C23H18BrClN4OS
The XLogP value of 6.38942 indicates that C23H18BrClN4OS is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.81 Ų, C23H18BrClN4OS exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C23H18BrClN4OS 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 C23H18BrClN4OS?
The CAS number of C23H18BrClN4OS is 896815-50-2.
What is the molecular formula of C23H18BrClN4OS?
The molecular formula of C23H18BrClN4OS is C23H18BrClN4OS.
What is the molecular weight of C23H18BrClN4OS?
The molecular weight of C23H18BrClN4OS is 512.01 g/mol.
Where can I buy C23H18BrClN4OS?
You can request a quote for C23H18BrClN4OS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C23H18BrClN4OS?
Yes, KEHONG BIO provides custom synthesis services for C23H18BrClN4OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.