BAS 02617587
TL;DR: BAS 02617587 (CAS 335222-61-2) is a chemical compound with molecular formula C20H22N4O2S and molecular weight 382.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-ethoxyphenyl)-2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: BAS 02617587, N-(4-ethoxyphenyl)-2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(4-ethoxyphenyl)-2-{[4-methyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(4-ethoxyphenyl)-2-((4-methyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamide, N-(4-ethoxyphenyl)-2-[4-methyl-5-(4-methylphenyl)(1,2,4-triazol-3-ylthio)]acet amide
| Molecular Formula | C20H22N4O2S |
|---|---|
| Molecular Weight | 382.15 g/mol |
| LogP | 3.92002 |
| Topological Polar Surface Area | 69.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 382.14636 |
| Heavy Atoms | 27 |
| Complexity | 904.7361 |
Chemical Identifiers
| CAS Number | 335222-61-2 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C)C3=CC=C(C=C3)C |
Product Overview
BAS 02617587 (CAS 335222-61-2), with molecular formula C20H22N4O2S and molecular weight 382.15 g/mol. IUPAC: N-(4-ethoxyphenyl)-2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of BAS 02617587
Property Insights of BAS 02617587
The XLogP value of 3.92002 indicates that BAS 02617587 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.04 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02617587. Following Lipinski's Rule of Five, BAS 02617587 has 1 hydrogen bond donor(s) and 5 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 02617587?
The CAS number of BAS 02617587 is 335222-61-2.
What is the molecular formula of BAS 02617587?
The molecular formula of BAS 02617587 is C20H22N4O2S.
What is the molecular weight of BAS 02617587?
The molecular weight of BAS 02617587 is 382.15 g/mol.
Where can I buy BAS 02617587?
You can request a quote for BAS 02617587 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02617587?
Yes, KEHONG BIO provides custom synthesis services for BAS 02617587 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.