BAS 02053750
TL;DR: BAS 02053750 (CAS 332948-91-1) is a chemical compound with molecular formula C23H18Cl2N4OS and molecular weight 468.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chloro-2-methylphenyl)-2-[[5-(2-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: BAS 02053750, N-(3-Chloro-2-methylphenyl)-2-((5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamide, N-(3-chloro-2-methylphenyl)-2-{[5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(3-chloro-2-methyl-phenyl)-2-[[5-(2-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(3-Chloro-2-methyl-phenyl)-2-[5-(2-chloro-phenyl)-4-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl]-acetamide
| Molecular Formula | C23H18Cl2N4OS |
|---|---|
| Molecular Weight | 468.06 g/mol |
| LogP | 6.28032 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 468.05783 |
| Heavy Atoms | 31 |
| Complexity | 1227.491 |
Chemical Identifiers
| CAS Number | 332948-91-1 |
|---|---|
| SMILES | CC1=C(C=CC=C1Cl)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4Cl |
Product Overview
BAS 02053750 (CAS 332948-91-1), with molecular formula C23H18Cl2N4OS and molecular weight 468.06 g/mol. IUPAC: N-(3-chloro-2-methylphenyl)-2-[[5-(2-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of BAS 02053750
Property Insights of BAS 02053750
The XLogP value of 6.28032 indicates that BAS 02053750 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 02053750 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 02053750 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 02053750?
The CAS number of BAS 02053750 is 332948-91-1.
What is the molecular formula of BAS 02053750?
The molecular formula of BAS 02053750 is C23H18Cl2N4OS.
What is the molecular weight of BAS 02053750?
The molecular weight of BAS 02053750 is 468.06 g/mol.
Where can I buy BAS 02053750?
You can request a quote for BAS 02053750 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02053750?
Yes, KEHONG BIO provides custom synthesis services for BAS 02053750 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.