![3-[(2-chlorobenzyl)sulfanyl]-5-(4-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole structure](/static/products/6932/693231-22-0.webp)
3-[(2-chlorobenzyl)sulfanyl]-5-(4-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
TL;DR: 3-[(2-chlorobenzyl)sulfanyl]-5-(4-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole (CAS 693231-22-0) is a chemical compound with molecular formula C18H15ClN4O2S and molecular weight 386.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2-chlorophenyl)methylsulfanyl]-5-(4-nitrophenyl)-4-prop-2-enyl-1,2,4-triazole
Also Known As: 3-[(2-chlorobenzyl)sulfanyl]-5-(4-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole, 3-[(2-chlorophenyl)methylsulfanyl]-5-(4-nitrophenyl)-4-prop-2-enyl-1,2,4-triazole, 3-{[(2-CHLOROPHENYL)METHYL]SULFANYL}-5-(4-NITROPHENYL)-4-(PROP-2-EN-1-YL)-1,2,4-TRIAZOLE
| Molecular Formula | C18H15ClN4O2S |
|---|---|
| Molecular Weight | 386.06 g/mol |
| LogP | 4.985 |
| Topological Polar Surface Area | 73.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 386.06042 |
| Heavy Atoms | 26 |
| Complexity | 940.6191 |
Chemical Identifiers
| CAS Number | 693231-22-0 |
|---|---|
| SMILES | C=CCN1C(=NN=C1SCC2=CC=CC=C2Cl)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
3-[(2-chlorobenzyl)sulfanyl]-5-(4-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole (CAS 693231-22-0), with molecular formula C18H15ClN4O2S and molecular weight 386.06 g/mol. IUPAC: 3-[(2-chlorophenyl)methylsulfanyl]-5-(4-nitrophenyl)-4-prop-2-enyl-1,2,4-triazole.
Chemical Property Profile of 3-[(2-chlorobenzyl)sulfanyl]-5-(4-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Property Insights of 3-[(2-chlorobenzyl)sulfanyl]-5-(4-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
The XLogP value of 4.985 indicates that 3-[(2-chlorobenzyl)sulfanyl]-5-(4-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(2-chlorobenzyl)sulfanyl]-5-(4-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole. Following Lipinski's Rule of Five, 3-[(2-chlorobenzyl)sulfanyl]-5-(4-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole has 0 hydrogen bond donor(s) and 5 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 3-[(2-chlorobenzyl)sulfanyl]-5-(4-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole?
The CAS number of 3-[(2-chlorobenzyl)sulfanyl]-5-(4-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole is 693231-22-0.
What is the molecular formula of 3-[(2-chlorobenzyl)sulfanyl]-5-(4-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole?
The molecular formula of 3-[(2-chlorobenzyl)sulfanyl]-5-(4-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole is C18H15ClN4O2S.
What is the molecular weight of 3-[(2-chlorobenzyl)sulfanyl]-5-(4-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole?
The molecular weight of 3-[(2-chlorobenzyl)sulfanyl]-5-(4-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole is 386.06 g/mol.
Where can I buy 3-[(2-chlorobenzyl)sulfanyl]-5-(4-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole?
You can request a quote for 3-[(2-chlorobenzyl)sulfanyl]-5-(4-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(2-chlorobenzyl)sulfanyl]-5-(4-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-[(2-chlorobenzyl)sulfanyl]-5-(4-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.