![2-chloro-N-[(4-methyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]benzamide structure](/static/products/7130/713098-63-6.webp)
2-chloro-N-[(4-methyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]benzamide
TL;DR: 2-chloro-N-[(4-methyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]benzamide (CAS 713098-63-6) is a chemical compound with molecular formula C11H11ClN4OS and molecular weight 282.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]benzamide
Also Known As: BAS 08853410, AN-698/42116999, 2-chloro-N-[(4-methyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]benzamide, 2-Chloro-N-(5-mercapto-4-methyl-4H-[1,2,4]triazol-3-ylmethyl)-benzamide, 2-chloro-N-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]benzamide
| Molecular Formula | C11H11ClN4OS |
|---|---|
| Molecular Weight | 282.03 g/mol |
| LogP | 2.06109 |
| Topological Polar Surface Area | 62.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 282.0342 |
| Heavy Atoms | 18 |
| Complexity | 633.9686 |
Chemical Identifiers
| CAS Number | 713098-63-6 |
|---|---|
| SMILES | CN1C(=NNC1=S)CNC(=O)C2=CC=CC=C2Cl |
Product Overview
2-chloro-N-[(4-methyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]benzamide (CAS 713098-63-6), with molecular formula C11H11ClN4OS and molecular weight 282.03 g/mol. IUPAC: 2-chloro-N-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]benzamide.
Chemical Property Profile of 2-chloro-N-[(4-methyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]benzamide
Property Insights of 2-chloro-N-[(4-methyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]benzamide
The XLogP value of 2.06109 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-chloro-N-[(4-methyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]benzamide. The TPSA of 62.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-chloro-N-[(4-methyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]benzamide. Following Lipinski's Rule of Five, 2-chloro-N-[(4-methyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]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 2-chloro-N-[(4-methyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]benzamide?
The CAS number of 2-chloro-N-[(4-methyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]benzamide is 713098-63-6.
What is the molecular formula of 2-chloro-N-[(4-methyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]benzamide?
The molecular formula of 2-chloro-N-[(4-methyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]benzamide is C11H11ClN4OS.
What is the molecular weight of 2-chloro-N-[(4-methyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]benzamide?
The molecular weight of 2-chloro-N-[(4-methyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]benzamide is 282.03 g/mol.
Where can I buy 2-chloro-N-[(4-methyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]benzamide?
You can request a quote for 2-chloro-N-[(4-methyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-chloro-N-[(4-methyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-chloro-N-[(4-methyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.