BAS 01918441
TL;DR: BAS 01918441 (CAS 332936-58-0) is a chemical compound with molecular formula C20H20N4O3S and molecular weight 396.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
Also Known As: BAS 01918441, methyl 4-[({[4-methyl-5-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate, methyl 4-(2-((4-methyl-5-(o-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate, methyl 4-{2-[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-ylthio]acetylamino}be nzoate, methyl 4-[[2-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
| Molecular Formula | C20H20N4O3S |
|---|---|
| Molecular Weight | 396.13 g/mol |
| LogP | 3.30792 |
| Topological Polar Surface Area | 86.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 396.1256 |
| Heavy Atoms | 28 |
| Complexity | 998.9403 |
Chemical Identifiers
| CAS Number | 332936-58-0 |
|---|---|
| SMILES | CC1=CC=CC=C1C2=NN=C(N2C)SCC(=O)NC3=CC=C(C=C3)C(=O)OC |
Product Overview
BAS 01918441 (CAS 332936-58-0), with molecular formula C20H20N4O3S and molecular weight 396.13 g/mol. IUPAC: methyl 4-[[2-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of BAS 01918441
Property Insights of BAS 01918441
The XLogP value of 3.30792 indicates that BAS 01918441 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.11 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01918441. Following Lipinski's Rule of Five, BAS 01918441 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 01918441?
The CAS number of BAS 01918441 is 332936-58-0.
What is the molecular formula of BAS 01918441?
The molecular formula of BAS 01918441 is C20H20N4O3S.
What is the molecular weight of BAS 01918441?
The molecular weight of BAS 01918441 is 396.13 g/mol.
Where can I buy BAS 01918441?
You can request a quote for BAS 01918441 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01918441?
Yes, KEHONG BIO provides custom synthesis services for BAS 01918441 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.