BAS 01916033
TL;DR: BAS 01916033 (CAS 332870-62-9) is a chemical compound with molecular formula C20H21ClN4OS and molecular weight 400.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3,5-dimethylphenyl)acetamide
Also Known As: BAS 01916033, 2-{[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,5-dimethylphenyl)acetamide, 2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3,5-dimethylphenyl)acetamide, N-(3,5-dimethylphenyl)-2-[5-(4-chlorophenyl)-4-ethyl(1,2,4-triazol-3-ylthio)]a cetamide, 2-((5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N-(3,5-dimethylphenyl)acetamide
| Molecular Formula | C20H21ClN4OS |
|---|---|
| Molecular Weight | 400.11 g/mol |
| LogP | 4.96604 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 400.11246 |
| Heavy Atoms | 27 |
| Complexity | 932.8656 |
Chemical Identifiers
| CAS Number | 332870-62-9 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=CC(=CC(=C2)C)C)C3=CC=C(C=C3)Cl |
Product Overview
BAS 01916033 (CAS 332870-62-9), with molecular formula C20H21ClN4OS and molecular weight 400.11 g/mol. IUPAC: 2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3,5-dimethylphenyl)acetamide.
Chemical Property Profile of BAS 01916033
Property Insights of BAS 01916033
The XLogP value of 4.96604 indicates that BAS 01916033 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 01916033 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 01916033 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 01916033?
The CAS number of BAS 01916033 is 332870-62-9.
What is the molecular formula of BAS 01916033?
The molecular formula of BAS 01916033 is C20H21ClN4OS.
What is the molecular weight of BAS 01916033?
The molecular weight of BAS 01916033 is 400.11 g/mol.
Where can I buy BAS 01916033?
You can request a quote for BAS 01916033 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01916033?
Yes, KEHONG BIO provides custom synthesis services for BAS 01916033 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.