![N-(4-chloro-2-methoxy-5-methylphenyl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide structure](/static/products/5779/577962-15-3.webp)
N-(4-chloro-2-methoxy-5-methylphenyl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
TL;DR: N-(4-chloro-2-methoxy-5-methylphenyl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide (CAS 577962-15-3) is a chemical compound with molecular formula C20H20ClN5O2S and molecular weight 429.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: N-(4-chloro-2-methoxy-5-methylphenyl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, 2-((4-allyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide, N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-prop-2-enyl-5-(2-pyridyl)(1,2,4-tri azol-3-ylthio))acetamide, N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
| Molecular Formula | C20H20ClN5O2S |
|---|---|
| Molecular Weight | 429.10 g/mol |
| LogP | 4.22732 |
| Topological Polar Surface Area | 81.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 429.10263 |
| Heavy Atoms | 29 |
| Complexity | 1023.21106 |
Chemical Identifiers
| CAS Number | 577962-15-3 |
|---|---|
| SMILES | CC1=CC(=C(C=C1Cl)OC)NC(=O)CSC2=NN=C(N2CC=C)C3=CC=CC=N3 |
Product Overview
N-(4-chloro-2-methoxy-5-methylphenyl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide (CAS 577962-15-3), with molecular formula C20H20ClN5O2S and molecular weight 429.10 g/mol. IUPAC: N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of N-(4-chloro-2-methoxy-5-methylphenyl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Property Insights of N-(4-chloro-2-methoxy-5-methylphenyl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
The XLogP value of 4.22732 indicates that N-(4-chloro-2-methoxy-5-methylphenyl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.93 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-chloro-2-methoxy-5-methylphenyl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide. Following Lipinski's Rule of Five, N-(4-chloro-2-methoxy-5-methylphenyl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide has 1 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 N-(4-chloro-2-methoxy-5-methylphenyl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
The CAS number of N-(4-chloro-2-methoxy-5-methylphenyl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is 577962-15-3.
What is the molecular formula of N-(4-chloro-2-methoxy-5-methylphenyl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
The molecular formula of N-(4-chloro-2-methoxy-5-methylphenyl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is C20H20ClN5O2S.
What is the molecular weight of N-(4-chloro-2-methoxy-5-methylphenyl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
The molecular weight of N-(4-chloro-2-methoxy-5-methylphenyl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is 429.10 g/mol.
Where can I buy N-(4-chloro-2-methoxy-5-methylphenyl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
You can request a quote for N-(4-chloro-2-methoxy-5-methylphenyl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-chloro-2-methoxy-5-methylphenyl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-chloro-2-methoxy-5-methylphenyl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.