![2-{[4-amino-5-(3-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1-cyano-1-cyclopropylethyl)acetamide structure](/static/products/852/852301-53-2.png)
2-{[4-amino-5-(3-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1-cyano-1-cyclopropylethyl)acetamide
TL;DR: 2-{[4-amino-5-(3-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1-cyano-1-cyclopropylethyl)acetamide (CAS 852301-53-2) is a chemical compound with molecular formula C16H17FN6OS and molecular weight 360.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-amino-5-(3-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-cyano-1-cyclopropylethyl)acetamide
Also Known As: 2-{[4-amino-5-(3-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1-cyano-1-cyclopropylethyl)acetamide, 2-[[4-amino-5-(3-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-cyano-1-cyclopropylethyl)acetamide
| Molecular Formula | C16H17FN6OS |
|---|---|
| Molecular Weight | 360.12 g/mol |
| LogP | 1.69858 |
| Topological Polar Surface Area | 109.62 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 360.11685 |
| Heavy Atoms | 25 |
| Complexity | 843.39075 |
Chemical Identifiers
| CAS Number | 852301-53-2 |
|---|---|
| SMILES | CC(C#N)(C1CC1)NC(=O)CSC2=NN=C(N2N)C3=CC(=CC=C3)F |
Product Overview
2-{[4-amino-5-(3-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1-cyano-1-cyclopropylethyl)acetamide (CAS 852301-53-2), with molecular formula C16H17FN6OS and molecular weight 360.12 g/mol. IUPAC: 2-[[4-amino-5-(3-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-cyano-1-cyclopropylethyl)acetamide.
Chemical Property Profile of 2-{[4-amino-5-(3-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1-cyano-1-cyclopropylethyl)acetamide
Property Insights of 2-{[4-amino-5-(3-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1-cyano-1-cyclopropylethyl)acetamide
The XLogP value of 1.69858 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[4-amino-5-(3-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1-cyano-1-cyclopropylethyl)acetamide. The TPSA of 109.62 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[4-amino-5-(3-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1-cyano-1-cyclopropylethyl)acetamide. Following Lipinski's Rule of Five, 2-{[4-amino-5-(3-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1-cyano-1-cyclopropylethyl)acetamide has 2 hydrogen bond donor(s) and 6 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-(3-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1-cyano-1-cyclopropylethyl)acetamide?
The CAS number of 2-{[4-amino-5-(3-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1-cyano-1-cyclopropylethyl)acetamide is 852301-53-2.
What is the molecular formula of 2-{[4-amino-5-(3-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1-cyano-1-cyclopropylethyl)acetamide?
The molecular formula of 2-{[4-amino-5-(3-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1-cyano-1-cyclopropylethyl)acetamide is C16H17FN6OS.
What is the molecular weight of 2-{[4-amino-5-(3-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1-cyano-1-cyclopropylethyl)acetamide?
The molecular weight of 2-{[4-amino-5-(3-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1-cyano-1-cyclopropylethyl)acetamide is 360.12 g/mol.
Where can I buy 2-{[4-amino-5-(3-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1-cyano-1-cyclopropylethyl)acetamide?
You can request a quote for 2-{[4-amino-5-(3-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1-cyano-1-cyclopropylethyl)acetamide 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-(3-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1-cyano-1-cyclopropylethyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-{[4-amino-5-(3-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1-cyano-1-cyclopropylethyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.