2-(4-amino-5-cyclohexyl(1,2,4-triazol-3-ylthio))-N-(2,4-difluorophenyl)acetami de
TL;DR: 2-(4-amino-5-cyclohexyl(1,2,4-triazol-3-ylthio))-N-(2,4-difluorophenyl)acetami de (CAS 578701-61-8) is a chemical compound with molecular formula C16H19F2N5OS and molecular weight 367.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4-difluorophenyl)acetamide
Also Known As: 2-(4-amino-5-cyclohexyl(1,2,4-triazol-3-ylthio))-N-(2,4-difluorophenyl)acetami de, 2-((4-amino-5-cyclohexyl-4H-1,2,4-triazol-3-yl)thio)-N-(2,4-difluorophenyl)acetamide, 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4-difluorophenyl)acetamide, 2-[(4-amino-5-cyclohexyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4-difluorophenyl)acetamide
| Molecular Formula | C16H19F2N5OS |
|---|---|
| Molecular Weight | 367.13 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 367.12784 |
| Heavy Atoms | 25 |
| Complexity | 454.0 |
Chemical Identifiers
| CAS Number | 578701-61-8 |
|---|---|
| SMILES | C1CCC(CC1)C2=NN=C(N2N)SCC(=O)NC3=C(C=C(C=C3)F)F |
| InChIKey | IGOATUHHOWWKIZ-UHFFFAOYSA-N |
Product Overview
2-(4-amino-5-cyclohexyl(1,2,4-triazol-3-ylthio))-N-(2,4-difluorophenyl)acetami de (CAS 578701-61-8), with molecular formula C16H19F2N5OS and molecular weight 367.13 g/mol. IUPAC: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4-difluorophenyl)acetamide.
Chemical Property Profile of 2-(4-amino-5-cyclohexyl(1,2,4-triazol-3-ylthio))-N-(2,4-difluorophenyl)acetami de
Property Insights of 2-(4-amino-5-cyclohexyl(1,2,4-triazol-3-ylthio))-N-(2,4-difluorophenyl)acetami de
The XLogP value of 3.3 indicates that 2-(4-amino-5-cyclohexyl(1,2,4-triazol-3-ylthio))-N-(2,4-difluorophenyl)acetami de is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-amino-5-cyclohexyl(1,2,4-triazol-3-ylthio))-N-(2,4-difluorophenyl)acetami de. Following Lipinski's Rule of Five, 2-(4-amino-5-cyclohexyl(1,2,4-triazol-3-ylthio))-N-(2,4-difluorophenyl)acetami de has 2 hydrogen bond donor(s) and 7 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-amino-5-cyclohexyl(1,2,4-triazol-3-ylthio))-N-(2,4-difluorophenyl)acetami de?
The CAS number of 2-(4-amino-5-cyclohexyl(1,2,4-triazol-3-ylthio))-N-(2,4-difluorophenyl)acetami de is 578701-61-8.
What is the molecular formula of 2-(4-amino-5-cyclohexyl(1,2,4-triazol-3-ylthio))-N-(2,4-difluorophenyl)acetami de?
The molecular formula of 2-(4-amino-5-cyclohexyl(1,2,4-triazol-3-ylthio))-N-(2,4-difluorophenyl)acetami de is C16H19F2N5OS.
What is the molecular weight of 2-(4-amino-5-cyclohexyl(1,2,4-triazol-3-ylthio))-N-(2,4-difluorophenyl)acetami de?
The molecular weight of 2-(4-amino-5-cyclohexyl(1,2,4-triazol-3-ylthio))-N-(2,4-difluorophenyl)acetami de is 367.13 g/mol.
Where can I buy 2-(4-amino-5-cyclohexyl(1,2,4-triazol-3-ylthio))-N-(2,4-difluorophenyl)acetami de?
You can request a quote for 2-(4-amino-5-cyclohexyl(1,2,4-triazol-3-ylthio))-N-(2,4-difluorophenyl)acetami de directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-amino-5-cyclohexyl(1,2,4-triazol-3-ylthio))-N-(2,4-difluorophenyl)acetami de?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-amino-5-cyclohexyl(1,2,4-triazol-3-ylthio))-N-(2,4-difluorophenyl)acetami de and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.