![2-{[5-(3-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(dimethylamino)phenyl]acetamide structure](/static/products/861/861638-97-3.png)
2-{[5-(3-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(dimethylamino)phenyl]acetamide
TL;DR: 2-{[5-(3-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(dimethylamino)phenyl]acetamide (CAS 861638-97-3) is a chemical compound with molecular formula C21H22ClN5OS and molecular weight 427.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(3-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(dimethylamino)phenyl]acetamide
Also Known As: 2-{[5-(3-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(dimethylamino)phenyl]acetamide, 2-((4-allyl-5-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-(dimethylamino)phenyl)acetamide, 2-[[5-(3-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-dimethylaminophenyl)acetamide, N-[4-(dimethylamino)phenyl]-2-[5-(3-chlorophenyl)-4-prop-2-enyl(1,2,4-triazol- 3-ylthio)]acetamide
| Molecular Formula | C21H22ClN5OS |
|---|---|
| Molecular Weight | 427.12 g/mol |
| LogP | 4.5813 |
| Topological Polar Surface Area | 63.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 427.12335 |
| Heavy Atoms | 29 |
| Complexity | 1000.561 |
Chemical Identifiers
| CAS Number | 861638-97-3 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)C3=CC(=CC=C3)Cl |
Product Overview
2-{[5-(3-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(dimethylamino)phenyl]acetamide (CAS 861638-97-3), with molecular formula C21H22ClN5OS and molecular weight 427.12 g/mol. IUPAC: 2-[[5-(3-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(dimethylamino)phenyl]acetamide.
Chemical Property Profile of 2-{[5-(3-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(dimethylamino)phenyl]acetamide
Property Insights of 2-{[5-(3-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(dimethylamino)phenyl]acetamide
The XLogP value of 4.5813 indicates that 2-{[5-(3-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(dimethylamino)phenyl]acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[5-(3-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(dimethylamino)phenyl]acetamide. Following Lipinski's Rule of Five, 2-{[5-(3-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(dimethylamino)phenyl]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 2-{[5-(3-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(dimethylamino)phenyl]acetamide?
The CAS number of 2-{[5-(3-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(dimethylamino)phenyl]acetamide is 861638-97-3.
What is the molecular formula of 2-{[5-(3-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(dimethylamino)phenyl]acetamide?
The molecular formula of 2-{[5-(3-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(dimethylamino)phenyl]acetamide is C21H22ClN5OS.
What is the molecular weight of 2-{[5-(3-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(dimethylamino)phenyl]acetamide?
The molecular weight of 2-{[5-(3-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(dimethylamino)phenyl]acetamide is 427.12 g/mol.
Where can I buy 2-{[5-(3-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(dimethylamino)phenyl]acetamide?
You can request a quote for 2-{[5-(3-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(dimethylamino)phenyl]acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[5-(3-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(dimethylamino)phenyl]acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-{[5-(3-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(dimethylamino)phenyl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.