BAS 02170784
TL;DR: BAS 02170784 (CAS 333318-79-9) is a chemical compound with molecular formula C19H18N4O3S and molecular weight 382.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate
Also Known As: BAS 02170784, methyl 4-({[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate, methyl 4-(2-((4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate, methyl 4-[[2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate, methyl 4-[2-(4-methyl-5-phenyl-1,2,4-triazol-3-ylthio)acetylamino]benzoate
| Molecular Formula | C19H18N4O3S |
|---|---|
| Molecular Weight | 382.11 g/mol |
| LogP | 2.9995 |
| Topological Polar Surface Area | 86.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 382.10995 |
| Heavy Atoms | 27 |
| Complexity | 939.34845 |
Chemical Identifiers
| CAS Number | 333318-79-9 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)OC)C3=CC=CC=C3 |
Product Overview
BAS 02170784 (CAS 333318-79-9), with molecular formula C19H18N4O3S and molecular weight 382.11 g/mol. IUPAC: methyl 4-[[2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of BAS 02170784
Property Insights of BAS 02170784
The XLogP value of 2.9995 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 02170784. The TPSA of 86.11 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02170784. Following Lipinski's Rule of Five, BAS 02170784 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 02170784?
The CAS number of BAS 02170784 is 333318-79-9.
What is the molecular formula of BAS 02170784?
The molecular formula of BAS 02170784 is C19H18N4O3S.
What is the molecular weight of BAS 02170784?
The molecular weight of BAS 02170784 is 382.11 g/mol.
Where can I buy BAS 02170784?
You can request a quote for BAS 02170784 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02170784?
Yes, KEHONG BIO provides custom synthesis services for BAS 02170784 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.