BAS 02617558
TL;DR: BAS 02617558 (CAS 335222-53-2) is a chemical compound with molecular formula C18H17ClN4OS and molecular weight 372.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chlorophenyl)-2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: BAS 02617558, N-(3-chlorophenyl)-2-{[4-methyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(3-chlorophenyl)-2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(3-chlorophenyl)-2-((4-methyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamide, N-(3-chlorophenyl)-2-[4-methyl-5-(4-methylphenyl)(1,2,4-triazol-3-ylthio)]acet amide
| Molecular Formula | C18H17ClN4OS |
|---|---|
| Molecular Weight | 372.08 g/mol |
| LogP | 4.17472 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 372.08115 |
| Heavy Atoms | 25 |
| Complexity | 892.3467 |
Chemical Identifiers
| CAS Number | 335222-53-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NN=C(N2C)SCC(=O)NC3=CC(=CC=C3)Cl |
Product Overview
BAS 02617558 (CAS 335222-53-2), with molecular formula C18H17ClN4OS and molecular weight 372.08 g/mol. IUPAC: N-(3-chlorophenyl)-2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of BAS 02617558
Property Insights of BAS 02617558
The XLogP value of 4.17472 indicates that BAS 02617558 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.81 Ų, BAS 02617558 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 02617558 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 02617558?
The CAS number of BAS 02617558 is 335222-53-2.
What is the molecular formula of BAS 02617558?
The molecular formula of BAS 02617558 is C18H17ClN4OS.
What is the molecular weight of BAS 02617558?
The molecular weight of BAS 02617558 is 372.08 g/mol.
Where can I buy BAS 02617558?
You can request a quote for BAS 02617558 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02617558?
Yes, KEHONG BIO provides custom synthesis services for BAS 02617558 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.