![N-[(5-butylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methyl]-3-methoxybenzamide structure](/static/products/3919/391918-18-6.webp)
N-[(5-butylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methyl]-3-methoxybenzamide
TL;DR: N-[(5-butylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methyl]-3-methoxybenzamide (CAS 391918-18-6) is a chemical compound with molecular formula C21H24N4O2S and molecular weight 396.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(5-butylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methyl]-3-methoxybenzamide
Also Known As: F0507-2204, N-{[5-(butylsulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}-3-methoxybenzamide, N-[(5-butylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methyl]-3-methoxybenzamide, N-((5-(butylthio)-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)-3-methoxybenzamide
| Molecular Formula | C21H24N4O2S |
|---|---|
| Molecular Weight | 396.16 g/mol |
| LogP | 4.0981 |
| Topological Polar Surface Area | 69.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 396.162 |
| Heavy Atoms | 28 |
| Complexity | 911.7789 |
Chemical Identifiers
| CAS Number | 391918-18-6 |
|---|---|
| SMILES | CCCCSC1=NN=C(N1C2=CC=CC=C2)CNC(=O)C3=CC(=CC=C3)OC |
Product Overview
N-[(5-butylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methyl]-3-methoxybenzamide (CAS 391918-18-6), with molecular formula C21H24N4O2S and molecular weight 396.16 g/mol. IUPAC: N-[(5-butylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methyl]-3-methoxybenzamide.
Chemical Property Profile of N-[(5-butylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methyl]-3-methoxybenzamide
Property Insights of N-[(5-butylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methyl]-3-methoxybenzamide
The XLogP value of 4.0981 indicates that N-[(5-butylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methyl]-3-methoxybenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.04 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(5-butylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methyl]-3-methoxybenzamide. Following Lipinski's Rule of Five, N-[(5-butylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methyl]-3-methoxybenzamide has 1 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 N-[(5-butylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methyl]-3-methoxybenzamide?
The CAS number of N-[(5-butylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methyl]-3-methoxybenzamide is 391918-18-6.
What is the molecular formula of N-[(5-butylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methyl]-3-methoxybenzamide?
The molecular formula of N-[(5-butylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methyl]-3-methoxybenzamide is C21H24N4O2S.
What is the molecular weight of N-[(5-butylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methyl]-3-methoxybenzamide?
The molecular weight of N-[(5-butylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methyl]-3-methoxybenzamide is 396.16 g/mol.
Where can I buy N-[(5-butylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methyl]-3-methoxybenzamide?
You can request a quote for N-[(5-butylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methyl]-3-methoxybenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(5-butylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methyl]-3-methoxybenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(5-butylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methyl]-3-methoxybenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.