BAS 01816426
TL;DR: BAS 01816426 (CAS 332910-77-7) is a chemical compound with molecular formula C19H16BrClN4OS and molecular weight 461.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(2-bromophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-chlorophenyl)acetamide
Also Known As: BAS 01816426, 2-((4-Allyl-5-(2-bromophenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-chlorophenyl)acetamide,
2-[4-Allyl-5-(2-bromo-phenyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-N-(3-chloro-p henyl)-acetamide, 2-[[5-(2-bromophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-chlorophenyl)acetamide, 2-[4-Allyl-5-(2-bromo-phenyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-N-(3-chloro-phenyl)-acetamide
| Molecular Formula | C19H16BrClN4OS |
|---|---|
| Molecular Weight | 461.99 g/mol |
| LogP | 5.2778 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 461.99167 |
| Heavy Atoms | 27 |
| Complexity | 975.84845 |
Chemical Identifiers
| CAS Number | 332910-77-7 |
|---|---|
| SMILES | C=CCN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)Cl)C3=CC=CC=C3Br |
Product Overview
BAS 01816426 (CAS 332910-77-7), with molecular formula C19H16BrClN4OS and molecular weight 461.99 g/mol. IUPAC: 2-[[5-(2-bromophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-chlorophenyl)acetamide.
Chemical Property Profile of BAS 01816426
Property Insights of BAS 01816426
The XLogP value of 5.2778 indicates that BAS 01816426 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 01816426 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 01816426 has 1 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 BAS 01816426?
The CAS number of BAS 01816426 is 332910-77-7.
What is the molecular formula of BAS 01816426?
The molecular formula of BAS 01816426 is C19H16BrClN4OS.
What is the molecular weight of BAS 01816426?
The molecular weight of BAS 01816426 is 461.99 g/mol.
Where can I buy BAS 01816426?
You can request a quote for BAS 01816426 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01816426?
Yes, KEHONG BIO provides custom synthesis services for BAS 01816426 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.