BAS 01842689
TL;DR: BAS 01842689 (CAS 332912-95-5) is a chemical compound with molecular formula C20H18BrClN4OS and molecular weight 476.01 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-(5-chloro-2-methylphenyl)acetamide
Also Known As: BAS 01842689, 2-((4-Allyl-5-(2-bromophenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(5-chloro-2-methylphenyl)acetamide,
2-[4-Allyl-5-(2-bromo-phenyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-N-(5-chloro-2 -methyl-phenyl)-acetamide, 2-[[5-(2-bromophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(5-chloro-2-methylphenyl)acetamide, 2-[4-Allyl-5-(2-bromo-phenyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-N-(5-chloro-2-methyl-phenyl)-acetamide
| Molecular Formula | C20H18BrClN4OS |
|---|---|
| Molecular Weight | 476.01 g/mol |
| LogP | 5.58622 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 476.00732 |
| Heavy Atoms | 28 |
| Complexity | 1021.1903 |
Chemical Identifiers
| CAS Number | 332912-95-5 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)Cl)NC(=O)CSC2=NN=C(N2CC=C)C3=CC=CC=C3Br |
Product Overview
BAS 01842689 (CAS 332912-95-5), with molecular formula C20H18BrClN4OS and molecular weight 476.01 g/mol. IUPAC: 2-[[5-(2-bromophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(5-chloro-2-methylphenyl)acetamide.
Chemical Property Profile of BAS 01842689
Property Insights of BAS 01842689
The XLogP value of 5.58622 indicates that BAS 01842689 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 01842689 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 01842689 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 01842689?
The CAS number of BAS 01842689 is 332912-95-5.
What is the molecular formula of BAS 01842689?
The molecular formula of BAS 01842689 is C20H18BrClN4OS.
What is the molecular weight of BAS 01842689?
The molecular weight of BAS 01842689 is 476.01 g/mol.
Where can I buy BAS 01842689?
You can request a quote for BAS 01842689 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01842689?
Yes, KEHONG BIO provides custom synthesis services for BAS 01842689 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.