![4-chloro-N-[1-(4-ethyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)ethyl]benzamide structure](/static/products/6944/694461-22-8.webp)
4-chloro-N-[1-(4-ethyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)ethyl]benzamide
TL;DR: 4-chloro-N-[1-(4-ethyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)ethyl]benzamide (CAS 694461-22-8) is a chemical compound with molecular formula C13H15ClN4OS and molecular weight 310.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N-[1-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]benzamide
Also Known As: BAS 08859674, 4-chloro-N-[1-(4-ethyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)ethyl]benzamide, 4-Chloro-N-[1-(4-ethyl-5-mercapto-4H-[1,2,4]triazol-3-yl)-ethyl]-benzamide, 4-Chloro-N-[1-(4-ethyl-5-mercapto-4H-[1,2,4] triazol-3-yl)-ethyl]-benzamide, 4-chloro-N-[1-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]benzamide
| Molecular Formula | C13H15ClN4OS |
|---|---|
| Molecular Weight | 310.07 g/mol |
| LogP | 3.10499 |
| Topological Polar Surface Area | 62.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 310.06552 |
| Heavy Atoms | 20 |
| Complexity | 661.75586 |
Chemical Identifiers
| CAS Number | 694461-22-8 |
|---|---|
| SMILES | CCN1C(=NNC1=S)C(C)NC(=O)C2=CC=C(C=C2)Cl |
Product Overview
4-chloro-N-[1-(4-ethyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)ethyl]benzamide (CAS 694461-22-8), with molecular formula C13H15ClN4OS and molecular weight 310.07 g/mol. IUPAC: 4-chloro-N-[1-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]benzamide.
Chemical Property Profile of 4-chloro-N-[1-(4-ethyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)ethyl]benzamide
Property Insights of 4-chloro-N-[1-(4-ethyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)ethyl]benzamide
The XLogP value of 3.10499 indicates that 4-chloro-N-[1-(4-ethyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)ethyl]benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-chloro-N-[1-(4-ethyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)ethyl]benzamide. Following Lipinski's Rule of Five, 4-chloro-N-[1-(4-ethyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)ethyl]benzamide has 2 hydrogen bond donor(s) and 3 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-chloro-N-[1-(4-ethyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)ethyl]benzamide?
The CAS number of 4-chloro-N-[1-(4-ethyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)ethyl]benzamide is 694461-22-8.
What is the molecular formula of 4-chloro-N-[1-(4-ethyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)ethyl]benzamide?
The molecular formula of 4-chloro-N-[1-(4-ethyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)ethyl]benzamide is C13H15ClN4OS.
What is the molecular weight of 4-chloro-N-[1-(4-ethyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)ethyl]benzamide?
The molecular weight of 4-chloro-N-[1-(4-ethyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)ethyl]benzamide is 310.07 g/mol.
Where can I buy 4-chloro-N-[1-(4-ethyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)ethyl]benzamide?
You can request a quote for 4-chloro-N-[1-(4-ethyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)ethyl]benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-chloro-N-[1-(4-ethyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)ethyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-chloro-N-[1-(4-ethyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)ethyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.