2-chloro-N-(3-(4-methyl-5-((2-oxo-2-(pyrrolidin-1-yl)ethyl)thio)-4H-1,2,4-triazol-3-yl)phenyl)benzamide
TL;DR: 2-chloro-N-(3-(4-methyl-5-((2-oxo-2-(pyrrolidin-1-yl)ethyl)thio)-4H-1,2,4-triazol-3-yl)phenyl)benzamide (CAS 511308-32-0) is a chemical compound with molecular formula C22H22ClN5O2S and molecular weight 455.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-[3-[4-methyl-5-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1,2,4-triazol-3-yl]phenyl]benzamide
Also Known As: 2-chloro-N-(3-(4-methyl-5-((2-oxo-2-(pyrrolidin-1-yl)ethyl)thio)-4H-1,2,4-triazol-3-yl)phenyl)benzamide, 2-chloro-N-[3-(4-methyl-5-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)phenyl]benzamide, 2-chloro-N-[3-[4-methyl-5-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1,2,4-triazol-3-yl]phenyl]benzamide
| Molecular Formula | C22H22ClN5O2S |
|---|---|
| Molecular Weight | 455.12 g/mol |
| LogP | 4.1023 |
| Topological Polar Surface Area | 80.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 455.1183 |
| Heavy Atoms | 31 |
| Complexity | 1110.7856 |
Chemical Identifiers
| CAS Number | 511308-32-0 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)N2CCCC2)C3=CC(=CC=C3)NC(=O)C4=CC=CC=C4Cl |
Product Overview
2-chloro-N-(3-(4-methyl-5-((2-oxo-2-(pyrrolidin-1-yl)ethyl)thio)-4H-1,2,4-triazol-3-yl)phenyl)benzamide (CAS 511308-32-0), with molecular formula C22H22ClN5O2S and molecular weight 455.12 g/mol. IUPAC: 2-chloro-N-[3-[4-methyl-5-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1,2,4-triazol-3-yl]phenyl]benzamide.
Chemical Property Profile of 2-chloro-N-(3-(4-methyl-5-((2-oxo-2-(pyrrolidin-1-yl)ethyl)thio)-4H-1,2,4-triazol-3-yl)phenyl)benzamide
Property Insights of 2-chloro-N-(3-(4-methyl-5-((2-oxo-2-(pyrrolidin-1-yl)ethyl)thio)-4H-1,2,4-triazol-3-yl)phenyl)benzamide
The XLogP value of 4.1023 indicates that 2-chloro-N-(3-(4-methyl-5-((2-oxo-2-(pyrrolidin-1-yl)ethyl)thio)-4H-1,2,4-triazol-3-yl)phenyl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.12 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-chloro-N-(3-(4-methyl-5-((2-oxo-2-(pyrrolidin-1-yl)ethyl)thio)-4H-1,2,4-triazol-3-yl)phenyl)benzamide. Following Lipinski's Rule of Five, 2-chloro-N-(3-(4-methyl-5-((2-oxo-2-(pyrrolidin-1-yl)ethyl)thio)-4H-1,2,4-triazol-3-yl)phenyl)benzamide 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 2-chloro-N-(3-(4-methyl-5-((2-oxo-2-(pyrrolidin-1-yl)ethyl)thio)-4H-1,2,4-triazol-3-yl)phenyl)benzamide?
The CAS number of 2-chloro-N-(3-(4-methyl-5-((2-oxo-2-(pyrrolidin-1-yl)ethyl)thio)-4H-1,2,4-triazol-3-yl)phenyl)benzamide is 511308-32-0.
What is the molecular formula of 2-chloro-N-(3-(4-methyl-5-((2-oxo-2-(pyrrolidin-1-yl)ethyl)thio)-4H-1,2,4-triazol-3-yl)phenyl)benzamide?
The molecular formula of 2-chloro-N-(3-(4-methyl-5-((2-oxo-2-(pyrrolidin-1-yl)ethyl)thio)-4H-1,2,4-triazol-3-yl)phenyl)benzamide is C22H22ClN5O2S.
What is the molecular weight of 2-chloro-N-(3-(4-methyl-5-((2-oxo-2-(pyrrolidin-1-yl)ethyl)thio)-4H-1,2,4-triazol-3-yl)phenyl)benzamide?
The molecular weight of 2-chloro-N-(3-(4-methyl-5-((2-oxo-2-(pyrrolidin-1-yl)ethyl)thio)-4H-1,2,4-triazol-3-yl)phenyl)benzamide is 455.12 g/mol.
Where can I buy 2-chloro-N-(3-(4-methyl-5-((2-oxo-2-(pyrrolidin-1-yl)ethyl)thio)-4H-1,2,4-triazol-3-yl)phenyl)benzamide?
You can request a quote for 2-chloro-N-(3-(4-methyl-5-((2-oxo-2-(pyrrolidin-1-yl)ethyl)thio)-4H-1,2,4-triazol-3-yl)phenyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-chloro-N-(3-(4-methyl-5-((2-oxo-2-(pyrrolidin-1-yl)ethyl)thio)-4H-1,2,4-triazol-3-yl)phenyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-chloro-N-(3-(4-methyl-5-((2-oxo-2-(pyrrolidin-1-yl)ethyl)thio)-4H-1,2,4-triazol-3-yl)phenyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.