N-benzyl-3-((3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl)thio)-3-phenylpropanamide
TL;DR: N-benzyl-3-((3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl)thio)-3-phenylpropanamide (CAS 690249-19-5) is a chemical compound with molecular formula C25H24N4O2S and molecular weight 444.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-3-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-3-phenylpropanamide
Also Known As: N-benzyl-3-((3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl)thio)-3-phenylpropanamide, N-benzyl-3-{[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]sulfanyl}-3-phenylpropanamide, F1710-0072, N-benzyl-3-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-3-phenylpropanamide, 3-[3-(4-methoxyphenyl)(1H-1,2,4-triazol-5-ylthio)]-3-phenyl-N-benzylpropanamid e
| Molecular Formula | C25H24N4O2S |
|---|---|
| Molecular Weight | 444.16 g/mol |
| LogP | 5.0202 |
| Topological Polar Surface Area | 79.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 444.162 |
| Heavy Atoms | 32 |
| Complexity | 1131.5977 |
Chemical Identifiers
| CAS Number | 690249-19-5 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=NC(=NN2)SC(CC(=O)NCC3=CC=CC=C3)C4=CC=CC=C4 |
Product Overview
N-benzyl-3-((3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl)thio)-3-phenylpropanamide (CAS 690249-19-5), with molecular formula C25H24N4O2S and molecular weight 444.16 g/mol. IUPAC: N-benzyl-3-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-3-phenylpropanamide.
Chemical Property Profile of N-benzyl-3-((3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl)thio)-3-phenylpropanamide
Property Insights of N-benzyl-3-((3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl)thio)-3-phenylpropanamide
The XLogP value of 5.0202 indicates that N-benzyl-3-((3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl)thio)-3-phenylpropanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.9 Ų falls within the moderate polarity range, balancing permeability and solubility for N-benzyl-3-((3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl)thio)-3-phenylpropanamide. Following Lipinski's Rule of Five, N-benzyl-3-((3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl)thio)-3-phenylpropanamide has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-benzyl-3-((3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl)thio)-3-phenylpropanamide?
The CAS number of N-benzyl-3-((3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl)thio)-3-phenylpropanamide is 690249-19-5.
What is the molecular formula of N-benzyl-3-((3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl)thio)-3-phenylpropanamide?
The molecular formula of N-benzyl-3-((3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl)thio)-3-phenylpropanamide is C25H24N4O2S.
What is the molecular weight of N-benzyl-3-((3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl)thio)-3-phenylpropanamide?
The molecular weight of N-benzyl-3-((3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl)thio)-3-phenylpropanamide is 444.16 g/mol.
Where can I buy N-benzyl-3-((3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl)thio)-3-phenylpropanamide?
You can request a quote for N-benzyl-3-((3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl)thio)-3-phenylpropanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-benzyl-3-((3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl)thio)-3-phenylpropanamide?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl-3-((3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl)thio)-3-phenylpropanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.