C23H17BrClN3OS
TL;DR: C23H17BrClN3OS (CAS 618432-01-2) is a chemical compound with molecular formula C23H17BrClN3OS and molecular weight 497.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-bromophenyl)-2-[[5-(4-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
Also Known As: 1-(4-bromophenyl)-2-{[5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone, 1-(4-Bromophenyl)-2-((5-(4-chlorophenyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)ethanone, 1-(4-bromophenyl)-2-[[5-(4-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone, 1-(4-BROMOPHENYL)-2-((5-(4-CHLOROPHENYL)-4-(4-METHYLPHENYL)-4H-1,2,4-TRIAZOL-3-YL)SULFANYL)ETHANONE, 1-(4-bromophenyl)-2-[5-(4-chlorophenyl)-4-(4-methylphenyl)(1,2,4-triazol-3-ylt hio)]ethan-1-one
| Molecular Formula | C23H17BrClN3OS |
|---|---|
| Molecular Weight | 497.00 g/mol |
| LogP | 6.63362 |
| Topological Polar Surface Area | 47.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 496.99643 |
| Heavy Atoms | 30 |
| Complexity | 1172.8112 |
Chemical Identifiers
| CAS Number | 618432-01-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC=C(C=C3)Br)C4=CC=C(C=C4)Cl |
Product Overview
C23H17BrClN3OS (CAS 618432-01-2), with molecular formula C23H17BrClN3OS and molecular weight 497.00 g/mol. IUPAC: 1-(4-bromophenyl)-2-[[5-(4-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone.
Chemical Property Profile of C23H17BrClN3OS
Property Insights of C23H17BrClN3OS
The XLogP value of 6.63362 indicates that C23H17BrClN3OS is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.78 Ų, C23H17BrClN3OS exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C23H17BrClN3OS has 0 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 C23H17BrClN3OS?
The CAS number of C23H17BrClN3OS is 618432-01-2.
What is the molecular formula of C23H17BrClN3OS?
The molecular formula of C23H17BrClN3OS is C23H17BrClN3OS.
What is the molecular weight of C23H17BrClN3OS?
The molecular weight of C23H17BrClN3OS is 497.00 g/mol.
Where can I buy C23H17BrClN3OS?
You can request a quote for C23H17BrClN3OS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C23H17BrClN3OS?
Yes, KEHONG BIO provides custom synthesis services for C23H17BrClN3OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.