BAS 02053187
TL;DR: BAS 02053187 (CAS 332946-48-2) 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.
2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-chlorophenyl)acetamide
Also Known As: BAS 02053187, 2-[(5-benzyl-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-chlorophenyl)acetamide, 2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-chlorophenyl)acetamide, N-(4-chlorophenyl)-2-[4-methyl-5-benzyl(1,2,4-triazol-3-ylthio)]acetamide
| Molecular Formula | C18H17ClN4OS |
|---|---|
| Molecular Weight | 372.08 g/mol |
| LogP | 3.7901 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 372.08115 |
| Heavy Atoms | 25 |
| Complexity | 849.27246 |
Chemical Identifiers
| CAS Number | 332946-48-2 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)Cl)CC3=CC=CC=C3 |
Product Overview
BAS 02053187 (CAS 332946-48-2), with molecular formula C18H17ClN4OS and molecular weight 372.08 g/mol. IUPAC: 2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-chlorophenyl)acetamide.
Chemical Property Profile of BAS 02053187
Property Insights of BAS 02053187
The XLogP value of 3.7901 indicates that BAS 02053187 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 02053187 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 02053187 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 02053187?
The CAS number of BAS 02053187 is 332946-48-2.
What is the molecular formula of BAS 02053187?
The molecular formula of BAS 02053187 is C18H17ClN4OS.
What is the molecular weight of BAS 02053187?
The molecular weight of BAS 02053187 is 372.08 g/mol.
Where can I buy BAS 02053187?
You can request a quote for BAS 02053187 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02053187?
Yes, KEHONG BIO provides custom synthesis services for BAS 02053187 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.