4-(4-ethoxy-2-nitrophenyl)-5-(quinolin-2-yl)-4H-1,2,4-triazole-3-thiol
TL;DR: 4-(4-ethoxy-2-nitrophenyl)-5-(quinolin-2-yl)-4H-1,2,4-triazole-3-thiol (CAS 728015-30-3) is a chemical compound with molecular formula C19H15N5O3S and molecular weight 393.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-ethoxy-2-nitrophenyl)-3-quinolin-2-yl-1H-1,2,4-triazole-5-thione
Also Known As: 4-(4-ethoxy-2-nitrophenyl)-5-(quinolin-2-yl)-4H-1,2,4-triazole-3-thiol, A3844/0163255, 4-(4-ethoxy-2-nitrophenyl)-3-quinolin-2-yl-1H-1,2,4-triazole-5-thione, 4-(4-ETHOXY-2-NITROPHENYL)-5-(2-QUINOLYL)-4H-1,2,4-TRIAZOL-3-YLHYDROSULFIDE, 4-(4-ethoxy-2-nitrophenyl)-5-(quinolin-2-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C19H15N5O3S |
|---|---|
| Molecular Weight | 393.09 g/mol |
| LogP | 4.45199 |
| Topological Polar Surface Area | 98.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 393.08957 |
| Heavy Atoms | 28 |
| Complexity | 1247.7869 |
Chemical Identifiers
| CAS Number | 728015-30-3 |
|---|---|
| SMILES | CCOC1=CC(=C(C=C1)N2C(=NNC2=S)C3=NC4=CC=CC=C4C=C3)[N+](=O)[O-] |
Product Overview
4-(4-ethoxy-2-nitrophenyl)-5-(quinolin-2-yl)-4H-1,2,4-triazole-3-thiol (CAS 728015-30-3), with molecular formula C19H15N5O3S and molecular weight 393.09 g/mol. IUPAC: 4-(4-ethoxy-2-nitrophenyl)-3-quinolin-2-yl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-(4-ethoxy-2-nitrophenyl)-5-(quinolin-2-yl)-4H-1,2,4-triazole-3-thiol
Property Insights of 4-(4-ethoxy-2-nitrophenyl)-5-(quinolin-2-yl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 4.45199 indicates that 4-(4-ethoxy-2-nitrophenyl)-5-(quinolin-2-yl)-4H-1,2,4-triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.87 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-ethoxy-2-nitrophenyl)-5-(quinolin-2-yl)-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, 4-(4-ethoxy-2-nitrophenyl)-5-(quinolin-2-yl)-4H-1,2,4-triazole-3-thiol 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 4-(4-ethoxy-2-nitrophenyl)-5-(quinolin-2-yl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-(4-ethoxy-2-nitrophenyl)-5-(quinolin-2-yl)-4H-1,2,4-triazole-3-thiol is 728015-30-3.
What is the molecular formula of 4-(4-ethoxy-2-nitrophenyl)-5-(quinolin-2-yl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-(4-ethoxy-2-nitrophenyl)-5-(quinolin-2-yl)-4H-1,2,4-triazole-3-thiol is C19H15N5O3S.
What is the molecular weight of 4-(4-ethoxy-2-nitrophenyl)-5-(quinolin-2-yl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-(4-ethoxy-2-nitrophenyl)-5-(quinolin-2-yl)-4H-1,2,4-triazole-3-thiol is 393.09 g/mol.
Where can I buy 4-(4-ethoxy-2-nitrophenyl)-5-(quinolin-2-yl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-(4-ethoxy-2-nitrophenyl)-5-(quinolin-2-yl)-4H-1,2,4-triazole-3-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-ethoxy-2-nitrophenyl)-5-(quinolin-2-yl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-ethoxy-2-nitrophenyl)-5-(quinolin-2-yl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.