![N-[(4-chlorophenyl)methyl]-2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide structure](/static/products/895/895488-58-1.png)
N-[(4-chlorophenyl)methyl]-2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
TL;DR: N-[(4-chlorophenyl)methyl]-2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CAS 895488-58-1) is a chemical compound with molecular formula C19H18ClN5OS and molecular weight 399.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-chlorophenyl)methyl]-2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: N-[(4-chlorophenyl)methyl]-2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide, 2-{[4-ALLYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-N-(4-CHLOROBENZYL)ACETAMIDE, N-(4-chlorobenzyl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-[(4-chlorophenyl)methyl]-2-(4-prop-2-enyl-5-(2-pyridyl)(1,2,4-triazol-3-ylth io))acetamide
| Molecular Formula | C19H18ClN5OS |
|---|---|
| Molecular Weight | 399.09 g/mol |
| LogP | 3.588 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 399.09207 |
| Heavy Atoms | 27 |
| Complexity | 911.60925 |
Chemical Identifiers
| CAS Number | 895488-58-1 |
|---|---|
| SMILES | C=CCN1C(=NN=C1SCC(=O)NCC2=CC=C(C=C2)Cl)C3=CC=CC=N3 |
Product Overview
N-[(4-chlorophenyl)methyl]-2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CAS 895488-58-1), with molecular formula C19H18ClN5OS and molecular weight 399.09 g/mol. IUPAC: N-[(4-chlorophenyl)methyl]-2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of N-[(4-chlorophenyl)methyl]-2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Property Insights of N-[(4-chlorophenyl)methyl]-2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
The XLogP value of 3.588 indicates that N-[(4-chlorophenyl)methyl]-2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.7 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(4-chlorophenyl)methyl]-2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide. Following Lipinski's Rule of Five, N-[(4-chlorophenyl)methyl]-2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide 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 N-[(4-chlorophenyl)methyl]-2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The CAS number of N-[(4-chlorophenyl)methyl]-2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide is 895488-58-1.
What is the molecular formula of N-[(4-chlorophenyl)methyl]-2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The molecular formula of N-[(4-chlorophenyl)methyl]-2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide is C19H18ClN5OS.
What is the molecular weight of N-[(4-chlorophenyl)methyl]-2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The molecular weight of N-[(4-chlorophenyl)methyl]-2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide is 399.09 g/mol.
Where can I buy N-[(4-chlorophenyl)methyl]-2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
You can request a quote for N-[(4-chlorophenyl)methyl]-2-[(4-prop-2-enyl-5-pyridin-2-yl-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-chlorophenyl)methyl]-2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(4-chlorophenyl)methyl]-2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.