![4-chloro-N-({4-methyl-5-[(2-{[3-(methylsulfanyl)phenyl]amino}-2-oxoethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)benzamide structure](/static/products/6944/694461-82-0.webp)
4-chloro-N-({4-methyl-5-[(2-{[3-(methylsulfanyl)phenyl]amino}-2-oxoethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)benzamide
TL;DR: 4-chloro-N-({4-methyl-5-[(2-{[3-(methylsulfanyl)phenyl]amino}-2-oxoethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)benzamide (CAS 694461-82-0) is a chemical compound with molecular formula C20H20ClN5O2S2 and molecular weight 461.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N-[[4-methyl-5-[2-(3-methylsulfanylanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide
Also Known As: 4-chloro-N-({4-methyl-5-[(2-{[3-(methylsulfanyl)phenyl]amino}-2-oxoethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)benzamide, 4-chloro-N-[[4-methyl-5-[2-(3-methylsulfanylanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide
| Molecular Formula | C20H20ClN5O2S2 |
|---|---|
| Molecular Weight | 461.07 g/mol |
| LogP | 3.8512 |
| Topological Polar Surface Area | 88.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 461.0747 |
| Heavy Atoms | 30 |
| Complexity | 1039.931 |
Chemical Identifiers
| CAS Number | 694461-82-0 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)SC)CNC(=O)C3=CC=C(C=C3)Cl |
Product Overview
4-chloro-N-({4-methyl-5-[(2-{[3-(methylsulfanyl)phenyl]amino}-2-oxoethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)benzamide (CAS 694461-82-0), with molecular formula C20H20ClN5O2S2 and molecular weight 461.07 g/mol. IUPAC: 4-chloro-N-[[4-methyl-5-[2-(3-methylsulfanylanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide.
Chemical Property Profile of 4-chloro-N-({4-methyl-5-[(2-{[3-(methylsulfanyl)phenyl]amino}-2-oxoethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)benzamide
Property Insights of 4-chloro-N-({4-methyl-5-[(2-{[3-(methylsulfanyl)phenyl]amino}-2-oxoethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)benzamide
The XLogP value of 3.8512 indicates that 4-chloro-N-({4-methyl-5-[(2-{[3-(methylsulfanyl)phenyl]amino}-2-oxoethyl)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 88.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-chloro-N-({4-methyl-5-[(2-{[3-(methylsulfanyl)phenyl]amino}-2-oxoethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)benzamide. Following Lipinski's Rule of Five, 4-chloro-N-({4-methyl-5-[(2-{[3-(methylsulfanyl)phenyl]amino}-2-oxoethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)benzamide has 2 hydrogen bond donor(s) and 6 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 4-chloro-N-({4-methyl-5-[(2-{[3-(methylsulfanyl)phenyl]amino}-2-oxoethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)benzamide?
The CAS number of 4-chloro-N-({4-methyl-5-[(2-{[3-(methylsulfanyl)phenyl]amino}-2-oxoethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)benzamide is 694461-82-0.
What is the molecular formula of 4-chloro-N-({4-methyl-5-[(2-{[3-(methylsulfanyl)phenyl]amino}-2-oxoethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)benzamide?
The molecular formula of 4-chloro-N-({4-methyl-5-[(2-{[3-(methylsulfanyl)phenyl]amino}-2-oxoethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)benzamide is C20H20ClN5O2S2.
What is the molecular weight of 4-chloro-N-({4-methyl-5-[(2-{[3-(methylsulfanyl)phenyl]amino}-2-oxoethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)benzamide?
The molecular weight of 4-chloro-N-({4-methyl-5-[(2-{[3-(methylsulfanyl)phenyl]amino}-2-oxoethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)benzamide is 461.07 g/mol.
Where can I buy 4-chloro-N-({4-methyl-5-[(2-{[3-(methylsulfanyl)phenyl]amino}-2-oxoethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)benzamide?
You can request a quote for 4-chloro-N-({4-methyl-5-[(2-{[3-(methylsulfanyl)phenyl]amino}-2-oxoethyl)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 4-chloro-N-({4-methyl-5-[(2-{[3-(methylsulfanyl)phenyl]amino}-2-oxoethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-chloro-N-({4-methyl-5-[(2-{[3-(methylsulfanyl)phenyl]amino}-2-oxoethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.