BAS 01842446
TL;DR: BAS 01842446 (CAS 332911-63-4) is a chemical compound with molecular formula C26H26ClN5OS and molecular weight 491.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-chloro-2-methylphenyl)-2-[[5-[(2,6-dimethylanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: BAS 01842446, N-(5-Chloro-2-methylphenyl)-2-((5-(((2,6-dimethylphenyl)amino)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamide, 2-(5-{[(2,6-dimethylphenyl)amino]methyl}-4-phenyl(1,2,4-triazol-3-ylthio))-N-( 5-chloro-2-methylphenyl)acetamide, N-(5-Chloro-2-methyl-phenyl)-2-{5-[(2,6-dimethyl-phenylamino)-methyl]-4-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl}-acetamide, N-(5-chloro-2-methylphenyl)-2-({5-[(2,6-dimethylanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
| Molecular Formula | C26H26ClN5OS |
|---|---|
| Molecular Weight | 491.15 g/mol |
| LogP | 6.18886 |
| Topological Polar Surface Area | 71.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 491.15466 |
| Heavy Atoms | 34 |
| Complexity | 1285.8013 |
Chemical Identifiers
| CAS Number | 332911-63-4 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)NCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=C(C=CC(=C4)Cl)C |
Product Overview
BAS 01842446 (CAS 332911-63-4), with molecular formula C26H26ClN5OS and molecular weight 491.15 g/mol. IUPAC: N-(5-chloro-2-methylphenyl)-2-[[5-[(2,6-dimethylanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of BAS 01842446
Property Insights of BAS 01842446
The XLogP value of 6.18886 indicates that BAS 01842446 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.84 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01842446. Following Lipinski's Rule of Five, BAS 01842446 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 01842446?
The CAS number of BAS 01842446 is 332911-63-4.
What is the molecular formula of BAS 01842446?
The molecular formula of BAS 01842446 is C26H26ClN5OS.
What is the molecular weight of BAS 01842446?
The molecular weight of BAS 01842446 is 491.15 g/mol.
Where can I buy BAS 01842446?
You can request a quote for BAS 01842446 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01842446?
Yes, KEHONG BIO provides custom synthesis services for BAS 01842446 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.