![3-methyl-N-[(4-phenyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]benzamide structure](/static/products/3918/391886-57-0.webp)
3-methyl-N-[(4-phenyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]benzamide
TL;DR: 3-methyl-N-[(4-phenyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]benzamide (CAS 391886-57-0) is a chemical compound with molecular formula C17H16N4OS and molecular weight 324.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-N-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]benzamide
Also Known As: CBKinase1_006541, CBKinase1_018941, BB 0243057, BRD-K10744969-001-01-3, 3-methyl-N-[(4-phenyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]benzamide
| Molecular Formula | C17H16N4OS |
|---|---|
| Molecular Weight | 324.10 g/mol |
| LogP | 3.16831 |
| Topological Polar Surface Area | 62.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 324.1045 |
| Heavy Atoms | 23 |
| Complexity | 882.86395 |
Chemical Identifiers
| CAS Number | 391886-57-0 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C(=O)NCC2=NNC(=S)N2C3=CC=CC=C3 |
Product Overview
3-methyl-N-[(4-phenyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]benzamide (CAS 391886-57-0), with molecular formula C17H16N4OS and molecular weight 324.10 g/mol. IUPAC: 3-methyl-N-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]benzamide.
Chemical Property Profile of 3-methyl-N-[(4-phenyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]benzamide
Property Insights of 3-methyl-N-[(4-phenyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]benzamide
The XLogP value of 3.16831 indicates that 3-methyl-N-[(4-phenyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]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 3-methyl-N-[(4-phenyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]benzamide. Following Lipinski's Rule of Five, 3-methyl-N-[(4-phenyl-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 3-methyl-N-[(4-phenyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]benzamide?
The CAS number of 3-methyl-N-[(4-phenyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]benzamide is 391886-57-0.
What is the molecular formula of 3-methyl-N-[(4-phenyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]benzamide?
The molecular formula of 3-methyl-N-[(4-phenyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]benzamide is C17H16N4OS.
What is the molecular weight of 3-methyl-N-[(4-phenyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]benzamide?
The molecular weight of 3-methyl-N-[(4-phenyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]benzamide is 324.10 g/mol.
Where can I buy 3-methyl-N-[(4-phenyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]benzamide?
You can request a quote for 3-methyl-N-[(4-phenyl-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 3-methyl-N-[(4-phenyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-N-[(4-phenyl-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.