RefChem:448716
TL;DR: RefChem:448716 (CAS 618441-14-8) is a chemical compound with molecular formula C19H19N5OS and molecular weight 365.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(2-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-pyridin-4-ylacetamide
Also Known As: 2-((4-Allyl-5-(o-tolyl)-4H-1,2,4-triazol-3-yl)thio)-N-(pyridin-4-yl)acetamide, 2-{[4-allyl-5-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-pyridinyl)acetamide, 2-((4-Allyl-5-(2-methylphenyl)-4H-1,2,4-triazol-3-YL)sulfanyl)-N-(4-pyridinyl)acetamide, 2-[[5-(2-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-pyridin-4-yl-acetamide, 2-[[5-(2-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-pyridin-4-ylacetamide
| Molecular Formula | C19H19N5OS |
|---|---|
| Molecular Weight | 365.13 g/mol |
| LogP | 3.56532 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 365.13104 |
| Heavy Atoms | 26 |
| Complexity | 907.3028 |
Chemical Identifiers
| CAS Number | 618441-14-8 |
|---|---|
| SMILES | CC1=CC=CC=C1C2=NN=C(N2CC=C)SCC(=O)NC3=CC=NC=C3 |
Product Overview
RefChem:448716 (CAS 618441-14-8), with molecular formula C19H19N5OS and molecular weight 365.13 g/mol. IUPAC: 2-[[5-(2-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-pyridin-4-ylacetamide.
Chemical Property Profile of RefChem:448716
Property Insights of RefChem:448716
The XLogP value of 3.56532 indicates that RefChem:448716 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 RefChem:448716. Following Lipinski's Rule of Five, RefChem:448716 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 RefChem:448716?
The CAS number of RefChem:448716 is 618441-14-8.
What is the molecular formula of RefChem:448716?
The molecular formula of RefChem:448716 is C19H19N5OS.
What is the molecular weight of RefChem:448716?
The molecular weight of RefChem:448716 is 365.13 g/mol.
Where can I buy RefChem:448716?
You can request a quote for RefChem:448716 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:448716?
Yes, KEHONG BIO provides custom synthesis services for RefChem:448716 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.