BAS 02070119
TL;DR: BAS 02070119 (CAS 335217-91-9) is a chemical compound with molecular formula C28H31N5OS and molecular weight 485.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[(4-methylanilino)methyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
Also Known As: BAS 02070119, N-Mesityl-2-((4-(p-tolyl)-5-((p-tolylamino)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide,
N-mesityl-2-{[4-(4-methylphenyl)-5-(4-toluidinomethyl)-4H-1,2,4-triazol-3-y l]sulfanyl}acetamide, 2-(4-(4-methylphenyl)-5-{[(4-methylphenyl)amino]methyl}(1,2,4-triazol-3-ylthio ))-N-(2,4,6-trimethylphenyl)acetamide, 2-[[5-[(4-methylanilino)methyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
| Molecular Formula | C28H31N5OS |
|---|---|
| Molecular Weight | 485.22 g/mol |
| LogP | 6.1523 |
| Topological Polar Surface Area | 71.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 485.22495 |
| Heavy Atoms | 35 |
| Complexity | 1303.7174 |
Chemical Identifiers
| CAS Number | 335217-91-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NCC2=NN=C(N2C3=CC=C(C=C3)C)SCC(=O)NC4=C(C=C(C=C4C)C)C |
Product Overview
BAS 02070119 (CAS 335217-91-9), with molecular formula C28H31N5OS and molecular weight 485.22 g/mol. IUPAC: 2-[[5-[(4-methylanilino)methyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide.
Chemical Property Profile of BAS 02070119
Property Insights of BAS 02070119
The XLogP value of 6.1523 indicates that BAS 02070119 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 02070119. Following Lipinski's Rule of Five, BAS 02070119 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 02070119?
The CAS number of BAS 02070119 is 335217-91-9.
What is the molecular formula of BAS 02070119?
The molecular formula of BAS 02070119 is C28H31N5OS.
What is the molecular weight of BAS 02070119?
The molecular weight of BAS 02070119 is 485.22 g/mol.
Where can I buy BAS 02070119?
You can request a quote for BAS 02070119 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02070119?
Yes, KEHONG BIO provides custom synthesis services for BAS 02070119 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.