BAS 01816133
TL;DR: BAS 01816133 (CAS 332909-38-3) is a chemical compound with molecular formula C27H29N5OS and molecular weight 471.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[(2,6-dimethylanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3,4-dimethylphenyl)acetamide
Also Known As: BAS 01816133, N-(3,4-Dimethylphenyl)-2-((5-(((2,6-dimethylphenyl)amino)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamide, 2-({5-[(2,6-dimethylanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3,4-dimethylphenyl)acetamide, 2-[[5-[(2,6-dimethylanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3,4-dimethylphenyl)acetamide, N-(3,4-Dimethyl-phenyl)-2-{5-[(2,6-dimethyl-phenylamino)-methyl]-4-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl}-acetamide
| Molecular Formula | C27H29N5OS |
|---|---|
| Molecular Weight | 471.21 g/mol |
| LogP | 5.84388 |
| Topological Polar Surface Area | 71.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 471.2093 |
| Heavy Atoms | 34 |
| Complexity | 1279.6307 |
Chemical Identifiers
| CAS Number | 332909-38-3 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)NCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=CC(=C(C=C4)C)C |
Product Overview
BAS 01816133 (CAS 332909-38-3), with molecular formula C27H29N5OS and molecular weight 471.21 g/mol. IUPAC: 2-[[5-[(2,6-dimethylanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3,4-dimethylphenyl)acetamide.
Chemical Property Profile of BAS 01816133
Property Insights of BAS 01816133
The XLogP value of 5.84388 indicates that BAS 01816133 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 01816133. Following Lipinski's Rule of Five, BAS 01816133 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 01816133?
The CAS number of BAS 01816133 is 332909-38-3.
What is the molecular formula of BAS 01816133?
The molecular formula of BAS 01816133 is C27H29N5OS.
What is the molecular weight of BAS 01816133?
The molecular weight of BAS 01816133 is 471.21 g/mol.
Where can I buy BAS 01816133?
You can request a quote for BAS 01816133 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01816133?
Yes, KEHONG BIO provides custom synthesis services for BAS 01816133 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.