![N-[[5-(3-anilino-3-oxopropyl)sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-chlorobenzamide structure](/static/products/7673/767344-41-2.webp)
N-[[5-(3-anilino-3-oxopropyl)sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-chlorobenzamide
TL;DR: N-[[5-(3-anilino-3-oxopropyl)sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-chlorobenzamide (CAS 767344-41-2) is a chemical compound with molecular formula C25H22ClN5O2S and molecular weight 491.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[5-(3-anilino-3-oxopropyl)sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-chlorobenzamide
Also Known As: N-[[5-(3-anilino-3-oxopropyl)sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-chlorobenzamide, 4-chloro-N-[(5-{[3-oxo-3-(phenylamino)propyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]benzamide
| Molecular Formula | C25H22ClN5O2S |
|---|---|
| Molecular Weight | 491.12 g/mol |
| LogP | 4.9716 |
| Topological Polar Surface Area | 88.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 491.1183 |
| Heavy Atoms | 34 |
| Complexity | 1247.5632 |
Chemical Identifiers
| CAS Number | 767344-41-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=O)CCSC2=NN=C(N2C3=CC=CC=C3)CNC(=O)C4=CC=C(C=C4)Cl |
Product Overview
N-[[5-(3-anilino-3-oxopropyl)sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-chlorobenzamide (CAS 767344-41-2), with molecular formula C25H22ClN5O2S and molecular weight 491.12 g/mol. IUPAC: N-[[5-(3-anilino-3-oxopropyl)sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-chlorobenzamide.
Chemical Property Profile of N-[[5-(3-anilino-3-oxopropyl)sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-chlorobenzamide
Property Insights of N-[[5-(3-anilino-3-oxopropyl)sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-chlorobenzamide
The XLogP value of 4.9716 indicates that N-[[5-(3-anilino-3-oxopropyl)sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-chlorobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.91 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[[5-(3-anilino-3-oxopropyl)sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-chlorobenzamide. Following Lipinski's Rule of Five, N-[[5-(3-anilino-3-oxopropyl)sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-chlorobenzamide has 2 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-(3-anilino-3-oxopropyl)sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-chlorobenzamide?
The CAS number of N-[[5-(3-anilino-3-oxopropyl)sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-chlorobenzamide is 767344-41-2.
What is the molecular formula of N-[[5-(3-anilino-3-oxopropyl)sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-chlorobenzamide?
The molecular formula of N-[[5-(3-anilino-3-oxopropyl)sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-chlorobenzamide is C25H22ClN5O2S.
What is the molecular weight of N-[[5-(3-anilino-3-oxopropyl)sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-chlorobenzamide?
The molecular weight of N-[[5-(3-anilino-3-oxopropyl)sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-chlorobenzamide is 491.12 g/mol.
Where can I buy N-[[5-(3-anilino-3-oxopropyl)sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-chlorobenzamide?
You can request a quote for N-[[5-(3-anilino-3-oxopropyl)sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-chlorobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[[5-(3-anilino-3-oxopropyl)sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-chlorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[[5-(3-anilino-3-oxopropyl)sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-chlorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.