KSC-383-8-1
TL;DR: KSC-383-8-1 (CAS 344274-87-9) is a chemical compound with molecular formula C23H18BrClFN3OS2 and molecular weight 548.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-bromophenyl)methylsulfinylmethyl]-5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole
Also Known As: KSC-383-8-1, 3-{[(4-bromobenzyl)sulfinyl]methyl}-5-[(2-chloro-6-fluorobenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazole, 3-[(4-bromophenyl)methylsulfinylmethyl]-5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole, 3-{[(4-bromophenyl)methanesulfinyl]methyl}-5-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazole
| Molecular Formula | C23H18BrClFN3OS2 |
|---|---|
| Molecular Weight | 548.97 g/mol |
| LogP | 6.5635 |
| Topological Polar Surface Area | 47.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 548.97473 |
| Heavy Atoms | 32 |
| Complexity | 1215.7374 |
Chemical Identifiers
| CAS Number | 344274-87-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=C2SCC3=C(C=CC=C3Cl)F)CS(=O)CC4=CC=C(C=C4)Br |
Product Overview
KSC-383-8-1 (CAS 344274-87-9), with molecular formula C23H18BrClFN3OS2 and molecular weight 548.97 g/mol. IUPAC: 3-[(4-bromophenyl)methylsulfinylmethyl]-5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole.
Chemical Property Profile of KSC-383-8-1
Property Insights of KSC-383-8-1
The XLogP value of 6.5635 indicates that KSC-383-8-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.78 Ų, KSC-383-8-1 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, KSC-383-8-1 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 KSC-383-8-1?
The CAS number of KSC-383-8-1 is 344274-87-9.
What is the molecular formula of KSC-383-8-1?
The molecular formula of KSC-383-8-1 is C23H18BrClFN3OS2.
What is the molecular weight of KSC-383-8-1?
The molecular weight of KSC-383-8-1 is 548.97 g/mol.
Where can I buy KSC-383-8-1?
You can request a quote for KSC-383-8-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KSC-383-8-1?
Yes, KEHONG BIO provides custom synthesis services for KSC-383-8-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.