![ethyl N-[2-cyano-3-(4-fluoroanilino)prop-2-enoyl]carbamate structure](/static/products/7732/77324-32-4.webp)
ethyl N-[2-cyano-3-(4-fluoroanilino)prop-2-enoyl]carbamate
TL;DR: ethyl N-[2-cyano-3-(4-fluoroanilino)prop-2-enoyl]carbamate (CAS 77324-32-4) is a chemical compound with molecular formula C13H12FN3O3 and molecular weight 277.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-[2-cyano-3-(4-fluoroanilino)prop-2-enoyl]carbamate
Also Known As: ethyl N-[2-cyano-3-(4-fluoroanilino)prop-2-enoyl]carbamate, ethyl N-[(E)-2-cyano-3-(4-fluoroanilino)-2-propenoyl]carbamate, Ethyl N-[2-cyano-3-[(4-fluorophenyl)amino]prop-2-enoyl]carbamate
| Molecular Formula | C13H12FN3O3 |
|---|---|
| Molecular Weight | 277.09 g/mol |
| LogP | 1.91778 |
| Topological Polar Surface Area | 91.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 277.08627 |
| Heavy Atoms | 20 |
| Complexity | 561.21924 |
Chemical Identifiers
| CAS Number | 77324-32-4 |
|---|---|
| SMILES | CCOC(=O)NC(=O)C(=CNC1=CC=C(C=C1)F)C#N |
Product Overview
ethyl N-[2-cyano-3-(4-fluoroanilino)prop-2-enoyl]carbamate (CAS 77324-32-4), with molecular formula C13H12FN3O3 and molecular weight 277.09 g/mol. IUPAC: ethyl N-[2-cyano-3-(4-fluoroanilino)prop-2-enoyl]carbamate.
Chemical Property Profile of ethyl N-[2-cyano-3-(4-fluoroanilino)prop-2-enoyl]carbamate
Property Insights of ethyl N-[2-cyano-3-(4-fluoroanilino)prop-2-enoyl]carbamate
The XLogP value of 1.91778 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl N-[2-cyano-3-(4-fluoroanilino)prop-2-enoyl]carbamate. The TPSA of 91.22 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl N-[2-cyano-3-(4-fluoroanilino)prop-2-enoyl]carbamate. Following Lipinski's Rule of Five, ethyl N-[2-cyano-3-(4-fluoroanilino)prop-2-enoyl]carbamate has 2 hydrogen bond donor(s) and 5 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 N-[2-cyano-3-(4-fluoroanilino)prop-2-enoyl]carbamate?
The CAS number of ethyl N-[2-cyano-3-(4-fluoroanilino)prop-2-enoyl]carbamate is 77324-32-4.
What is the molecular formula of ethyl N-[2-cyano-3-(4-fluoroanilino)prop-2-enoyl]carbamate?
The molecular formula of ethyl N-[2-cyano-3-(4-fluoroanilino)prop-2-enoyl]carbamate is C13H12FN3O3.
What is the molecular weight of ethyl N-[2-cyano-3-(4-fluoroanilino)prop-2-enoyl]carbamate?
The molecular weight of ethyl N-[2-cyano-3-(4-fluoroanilino)prop-2-enoyl]carbamate is 277.09 g/mol.
Where can I buy ethyl N-[2-cyano-3-(4-fluoroanilino)prop-2-enoyl]carbamate?
You can request a quote for ethyl N-[2-cyano-3-(4-fluoroanilino)prop-2-enoyl]carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl N-[2-cyano-3-(4-fluoroanilino)prop-2-enoyl]carbamate?
Yes, KEHONG BIO provides custom synthesis services for ethyl N-[2-cyano-3-(4-fluoroanilino)prop-2-enoyl]carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.