C19H16ClFN4OS
TL;DR: C19H16ClFN4OS (CAS 861111-33-3) is a chemical compound with molecular formula C19H16ClFN4OS and molecular weight 402.07 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-(2-fluorophenyl)acetamide
Also Known As: 2-{[5-(3-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-fluorophenyl)acetamide, 2-((4-allyl-5-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-fluorophenyl)acetamide, 2-[[5-(3-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-fluorophenyl)acetamide, 2-[5-(3-chlorophenyl)-4-prop-2-enyl(1,2,4-triazol-3-ylthio)]-N-(2-fluorophenyl )acetamide
| Molecular Formula | C19H16ClFN4OS |
|---|---|
| Molecular Weight | 402.07 g/mol |
| LogP | 4.6544 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 402.07175 |
| Heavy Atoms | 27 |
| Complexity | 975.84845 |
Chemical Identifiers
| CAS Number | 861111-33-3 |
|---|---|
| SMILES | C=CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2F)C3=CC(=CC=C3)Cl |
Product Overview
C19H16ClFN4OS (CAS 861111-33-3), with molecular formula C19H16ClFN4OS and molecular weight 402.07 g/mol. IUPAC: 2-[[5-(3-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-fluorophenyl)acetamide.
Chemical Property Profile of C19H16ClFN4OS
Property Insights of C19H16ClFN4OS
The XLogP value of 4.6544 indicates that C19H16ClFN4OS is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.81 Ų, C19H16ClFN4OS exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C19H16ClFN4OS has 1 hydrogen bond donor(s) and 4 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 C19H16ClFN4OS?
The CAS number of C19H16ClFN4OS is 861111-33-3.
What is the molecular formula of C19H16ClFN4OS?
The molecular formula of C19H16ClFN4OS is C19H16ClFN4OS.
What is the molecular weight of C19H16ClFN4OS?
The molecular weight of C19H16ClFN4OS is 402.07 g/mol.
Where can I buy C19H16ClFN4OS?
You can request a quote for C19H16ClFN4OS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C19H16ClFN4OS?
Yes, KEHONG BIO provides custom synthesis services for C19H16ClFN4OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.