![N-benzyl-3-{[5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-3-(4-methoxyphenyl)propanamide structure](/static/products/6902/690249-39-9.webp)
N-benzyl-3-{[5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-3-(4-methoxyphenyl)propanamide
TL;DR: N-benzyl-3-{[5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-3-(4-methoxyphenyl)propanamide (CAS 690249-39-9) is a chemical compound with molecular formula C25H23ClN4O2S and molecular weight 478.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-3-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-3-(4-methoxyphenyl)propanamide
Also Known As: N-benzyl-3-{[5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-3-(4-methoxyphenyl)propanamide, N-benzyl-3-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-3-(4-methoxyphenyl)propanamide, 3-[5-(4-chlorophenyl)(4H-1,2,4-triazol-3-ylthio)]-3-(4-methoxyphenyl)-N-benzyl propanamide, N-benzyl-3-((5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-3-(4-methoxyphenyl)propanamide
| Molecular Formula | C25H23ClN4O2S |
|---|---|
| Molecular Weight | 478.12 g/mol |
| LogP | 5.6736 |
| Topological Polar Surface Area | 79.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 478.12302 |
| Heavy Atoms | 33 |
| Complexity | 1181.2795 |
Chemical Identifiers
| CAS Number | 690249-39-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(CC(=O)NCC2=CC=CC=C2)SC3=NNC(=N3)C4=CC=C(C=C4)Cl |
Product Overview
N-benzyl-3-{[5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-3-(4-methoxyphenyl)propanamide (CAS 690249-39-9), with molecular formula C25H23ClN4O2S and molecular weight 478.12 g/mol. IUPAC: N-benzyl-3-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-3-(4-methoxyphenyl)propanamide.
Chemical Property Profile of N-benzyl-3-{[5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-3-(4-methoxyphenyl)propanamide
Property Insights of N-benzyl-3-{[5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-3-(4-methoxyphenyl)propanamide
The XLogP value of 5.6736 indicates that N-benzyl-3-{[5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-3-(4-methoxyphenyl)propanamide 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-{[5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-3-(4-methoxyphenyl)propanamide. Following Lipinski's Rule of Five, N-benzyl-3-{[5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-3-(4-methoxyphenyl)propanamide 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-{[5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-3-(4-methoxyphenyl)propanamide?
The CAS number of N-benzyl-3-{[5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-3-(4-methoxyphenyl)propanamide is 690249-39-9.
What is the molecular formula of N-benzyl-3-{[5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-3-(4-methoxyphenyl)propanamide?
The molecular formula of N-benzyl-3-{[5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-3-(4-methoxyphenyl)propanamide is C25H23ClN4O2S.
What is the molecular weight of N-benzyl-3-{[5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-3-(4-methoxyphenyl)propanamide?
The molecular weight of N-benzyl-3-{[5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-3-(4-methoxyphenyl)propanamide is 478.12 g/mol.
Where can I buy N-benzyl-3-{[5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-3-(4-methoxyphenyl)propanamide?
You can request a quote for N-benzyl-3-{[5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-3-(4-methoxyphenyl)propanamide 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-{[5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-3-(4-methoxyphenyl)propanamide?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl-3-{[5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-3-(4-methoxyphenyl)propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.