![ethyl 2-({3-[(4-fluorobenzoyl)amino]-1H-1,2,4-triazol-5-yl}sulfanyl)acetate structure](/static/products/866/866010-93-7.png)
ethyl 2-({3-[(4-fluorobenzoyl)amino]-1H-1,2,4-triazol-5-yl}sulfanyl)acetate
TL;DR: ethyl 2-({3-[(4-fluorobenzoyl)amino]-1H-1,2,4-triazol-5-yl}sulfanyl)acetate (CAS 866010-93-7) is a chemical compound with molecular formula C13H13FN4O3S and molecular weight 324.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[5-[(4-fluorobenzoyl)amino]-1H-1,2,4-triazol-3-yl]sulfanyl]acetate
Also Known As: ethyl 2-({3-[(4-fluorobenzoyl)amino]-1H-1,2,4-triazol-5-yl}sulfanyl)acetate, ethyl 2-[[5-[(4-fluorobenzoyl)amino]-1H-1,2,4-triazol-3-yl]sulfanyl]acetate, ethyl 2-{[3-(4-fluorobenzamido)-1H-1,2,4-triazol-5-yl]sulfanyl}acetate, ethyl 2-{[5-(4-fluorobenzamido)-2H-1,2,4-triazol-3-yl]sulfanyl}acetate, ethyl2-{[3-(4-fluorobenzamido)-1H-1,2,4-triazol-5-yl]sulfanyl}acetate
| Molecular Formula | C13H13FN4O3S |
|---|---|
| Molecular Weight | 324.07 g/mol |
| LogP | 1.8513 |
| Topological Polar Surface Area | 96.97 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 324.06924 |
| Heavy Atoms | 22 |
| Complexity | 659.55975 |
Chemical Identifiers
| CAS Number | 866010-93-7 |
|---|---|
| SMILES | CCOC(=O)CSC1=NNC(=N1)NC(=O)C2=CC=C(C=C2)F |
Product Overview
ethyl 2-({3-[(4-fluorobenzoyl)amino]-1H-1,2,4-triazol-5-yl}sulfanyl)acetate (CAS 866010-93-7), with molecular formula C13H13FN4O3S and molecular weight 324.07 g/mol. IUPAC: ethyl 2-[[5-[(4-fluorobenzoyl)amino]-1H-1,2,4-triazol-3-yl]sulfanyl]acetate.
Chemical Property Profile of ethyl 2-({3-[(4-fluorobenzoyl)amino]-1H-1,2,4-triazol-5-yl}sulfanyl)acetate
Property Insights of ethyl 2-({3-[(4-fluorobenzoyl)amino]-1H-1,2,4-triazol-5-yl}sulfanyl)acetate
The XLogP value of 1.8513 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-({3-[(4-fluorobenzoyl)amino]-1H-1,2,4-triazol-5-yl}sulfanyl)acetate. The TPSA of 96.97 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-({3-[(4-fluorobenzoyl)amino]-1H-1,2,4-triazol-5-yl}sulfanyl)acetate. Following Lipinski's Rule of Five, ethyl 2-({3-[(4-fluorobenzoyl)amino]-1H-1,2,4-triazol-5-yl}sulfanyl)acetate 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 ethyl 2-({3-[(4-fluorobenzoyl)amino]-1H-1,2,4-triazol-5-yl}sulfanyl)acetate?
The CAS number of ethyl 2-({3-[(4-fluorobenzoyl)amino]-1H-1,2,4-triazol-5-yl}sulfanyl)acetate is 866010-93-7.
What is the molecular formula of ethyl 2-({3-[(4-fluorobenzoyl)amino]-1H-1,2,4-triazol-5-yl}sulfanyl)acetate?
The molecular formula of ethyl 2-({3-[(4-fluorobenzoyl)amino]-1H-1,2,4-triazol-5-yl}sulfanyl)acetate is C13H13FN4O3S.
What is the molecular weight of ethyl 2-({3-[(4-fluorobenzoyl)amino]-1H-1,2,4-triazol-5-yl}sulfanyl)acetate?
The molecular weight of ethyl 2-({3-[(4-fluorobenzoyl)amino]-1H-1,2,4-triazol-5-yl}sulfanyl)acetate is 324.07 g/mol.
Where can I buy ethyl 2-({3-[(4-fluorobenzoyl)amino]-1H-1,2,4-triazol-5-yl}sulfanyl)acetate?
You can request a quote for ethyl 2-({3-[(4-fluorobenzoyl)amino]-1H-1,2,4-triazol-5-yl}sulfanyl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-({3-[(4-fluorobenzoyl)amino]-1H-1,2,4-triazol-5-yl}sulfanyl)acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-({3-[(4-fluorobenzoyl)amino]-1H-1,2,4-triazol-5-yl}sulfanyl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.