BAS 01940117
TL;DR: BAS 01940117 (CAS 332873-25-3) is a chemical compound with molecular formula C20H19ClN4O3S and molecular weight 430.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
Also Known As: BAS 01940117, ethyl 4-[({[5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate, ethyl 4-(2-((5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate, ethyl 4-{2-[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-ylthio]acetylamino}ben zoate, ethyl 4-[[2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
| Molecular Formula | C20H19ClN4O3S |
|---|---|
| Molecular Weight | 430.09 g/mol |
| LogP | 4.043 |
| Topological Polar Surface Area | 86.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 430.08664 |
| Heavy Atoms | 29 |
| Complexity | 1003.57074 |
Chemical Identifiers
| CAS Number | 332873-25-3 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C)C3=CC=C(C=C3)Cl |
Product Overview
BAS 01940117 (CAS 332873-25-3), with molecular formula C20H19ClN4O3S and molecular weight 430.09 g/mol. IUPAC: ethyl 4-[[2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of BAS 01940117
Property Insights of BAS 01940117
The XLogP value of 4.043 indicates that BAS 01940117 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 01940117. Following Lipinski's Rule of Five, BAS 01940117 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 01940117?
The CAS number of BAS 01940117 is 332873-25-3.
What is the molecular formula of BAS 01940117?
The molecular formula of BAS 01940117 is C20H19ClN4O3S.
What is the molecular weight of BAS 01940117?
The molecular weight of BAS 01940117 is 430.09 g/mol.
Where can I buy BAS 01940117?
You can request a quote for BAS 01940117 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01940117?
Yes, KEHONG BIO provides custom synthesis services for BAS 01940117 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.