Ethyl 4-(2-(2-fluoroethylimino)hydrazinyl)benzoate
TL;DR: Ethyl 4-(2-(2-fluoroethylimino)hydrazinyl)benzoate (CAS 78604-22-5) is a chemical compound with molecular formula C11H14FN3O2 and molecular weight 239.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[2-(2-fluoroethylimino)hydrazinyl]benzoate
Also Known As: Benzoic acid, ethyl ester, ethyl 4-(2-(2-fluoroethylimino)hydrazinyl)benzoate, ethyl 4-[2-(2-fluoroethylimino)hydrazinyl]benzoate, 1-(p-ethoxycarbonylphenyl)-3-(2-fluoroethyl)triazene, Ethyl 4-[(2E)-3-(2-fluoroethyl)triaz-2-en-1-yl]benzoate
| Molecular Formula | C11H14FN3O2 |
|---|---|
| Molecular Weight | 239.11 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 63.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 239.10701 |
| Heavy Atoms | 17 |
| Complexity | 253.0 |
Chemical Identifiers
| CAS Number | 78604-22-5 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NN=NCCF |
| InChIKey | GILSAXLEWUDWQF-UHFFFAOYSA-N |
Product Overview
Ethyl 4-(2-(2-fluoroethylimino)hydrazinyl)benzoate (CAS 78604-22-5), with molecular formula C11H14FN3O2 and molecular weight 239.11 g/mol. IUPAC: ethyl 4-[2-(2-fluoroethylimino)hydrazinyl]benzoate.
Chemical Property Profile of Ethyl 4-(2-(2-fluoroethylimino)hydrazinyl)benzoate
Property Insights of Ethyl 4-(2-(2-fluoroethylimino)hydrazinyl)benzoate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-(2-(2-fluoroethylimino)hydrazinyl)benzoate. The TPSA of 63.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-(2-(2-fluoroethylimino)hydrazinyl)benzoate. Following Lipinski's Rule of Five, Ethyl 4-(2-(2-fluoroethylimino)hydrazinyl)benzoate has 1 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 4-(2-(2-fluoroethylimino)hydrazinyl)benzoate?
The CAS number of Ethyl 4-(2-(2-fluoroethylimino)hydrazinyl)benzoate is 78604-22-5.
What is the molecular formula of Ethyl 4-(2-(2-fluoroethylimino)hydrazinyl)benzoate?
The molecular formula of Ethyl 4-(2-(2-fluoroethylimino)hydrazinyl)benzoate is C11H14FN3O2.
What is the molecular weight of Ethyl 4-(2-(2-fluoroethylimino)hydrazinyl)benzoate?
The molecular weight of Ethyl 4-(2-(2-fluoroethylimino)hydrazinyl)benzoate is 239.11 g/mol.
Where can I buy Ethyl 4-(2-(2-fluoroethylimino)hydrazinyl)benzoate?
You can request a quote for Ethyl 4-(2-(2-fluoroethylimino)hydrazinyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-(2-(2-fluoroethylimino)hydrazinyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(2-(2-fluoroethylimino)hydrazinyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.