2-((4-allyl-5-(2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(5-chloro-2-hydroxyphenyl)acetamide
TL;DR: 2-((4-allyl-5-(2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(5-chloro-2-hydroxyphenyl)acetamide (CAS 838815-72-8) is a chemical compound with molecular formula C19H17ClN4O3S and molecular weight 416.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-chloro-2-hydroxyphenyl)-2-[[5-(2-hydroxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: 2-((4-allyl-5-(2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(5-chloro-2-hydroxyphenyl)acetamide, N-(5-chloro-2-hydroxyphenyl)-2-[[(5Z)-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-4-prop-2-enyl-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(5-chloro-2-hydroxyphenyl)-2-[[5-(6-oxocyclohexa-2,4-dien-1-ylidene)-4-prop-2-enyl-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(5-chloro-2-hydroxyphenyl)-2-{[5-(2-hydroxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
| Molecular Formula | C19H17ClN4O3S |
|---|---|
| Molecular Weight | 416.07 g/mol |
| LogP | 3.9265 |
| Topological Polar Surface Area | 100.27 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 416.07098 |
| Heavy Atoms | 28 |
| Complexity | 1022.1634 |
Chemical Identifiers
| CAS Number | 838815-72-8 |
|---|---|
| SMILES | C=CCN1C(=NN=C1SCC(=O)NC2=C(C=CC(=C2)Cl)O)C3=CC=CC=C3O |
Product Overview
2-((4-allyl-5-(2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(5-chloro-2-hydroxyphenyl)acetamide (CAS 838815-72-8), with molecular formula C19H17ClN4O3S and molecular weight 416.07 g/mol. IUPAC: N-(5-chloro-2-hydroxyphenyl)-2-[[5-(2-hydroxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of 2-((4-allyl-5-(2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(5-chloro-2-hydroxyphenyl)acetamide
Property Insights of 2-((4-allyl-5-(2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(5-chloro-2-hydroxyphenyl)acetamide
The XLogP value of 3.9265 indicates that 2-((4-allyl-5-(2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(5-chloro-2-hydroxyphenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.27 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4-allyl-5-(2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(5-chloro-2-hydroxyphenyl)acetamide. Following Lipinski's Rule of Five, 2-((4-allyl-5-(2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(5-chloro-2-hydroxyphenyl)acetamide has 3 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 2-((4-allyl-5-(2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(5-chloro-2-hydroxyphenyl)acetamide?
The CAS number of 2-((4-allyl-5-(2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(5-chloro-2-hydroxyphenyl)acetamide is 838815-72-8.
What is the molecular formula of 2-((4-allyl-5-(2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(5-chloro-2-hydroxyphenyl)acetamide?
The molecular formula of 2-((4-allyl-5-(2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(5-chloro-2-hydroxyphenyl)acetamide is C19H17ClN4O3S.
What is the molecular weight of 2-((4-allyl-5-(2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(5-chloro-2-hydroxyphenyl)acetamide?
The molecular weight of 2-((4-allyl-5-(2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(5-chloro-2-hydroxyphenyl)acetamide is 416.07 g/mol.
Where can I buy 2-((4-allyl-5-(2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(5-chloro-2-hydroxyphenyl)acetamide?
You can request a quote for 2-((4-allyl-5-(2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(5-chloro-2-hydroxyphenyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((4-allyl-5-(2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(5-chloro-2-hydroxyphenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-allyl-5-(2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(5-chloro-2-hydroxyphenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.