Ethyl 3-(4-fluoroanilino)crotonate
TL;DR: Ethyl 3-(4-fluoroanilino)crotonate (CAS 870654-23-2) is a chemical compound with molecular formula C12H14FNO2 and molecular weight 223.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (E)-3-(4-fluoroanilino)but-2-enoate
Also Known As: Ethyl 3-(4-fluoroanilino)crotonate, ethyl (E)-3-(4-fluoroanilino)but-2-enoate, ethyl 3-[(4-fluorophenyl)amino]but-2-enoate, ethyl 3-(4-fluoroanilino)but-2-enoate, Ethyl 3-(4-fluoroanilino)crotonate, 97%
| Molecular Formula | C12H14FNO2 |
|---|---|
| Molecular Weight | 223.10 g/mol |
| LogP | 2.7045 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 223.10086 |
| Heavy Atoms | 16 |
| Complexity | 384.51016 |
Chemical Identifiers
| CAS Number | 870654-23-2 |
|---|---|
| SMILES | CCOC(=O)/C=C(\C)/NC1=CC=C(C=C1)F |
Product Overview
Ethyl 3-(4-fluoroanilino)crotonate (CAS 870654-23-2), with molecular formula C12H14FNO2 and molecular weight 223.10 g/mol. IUPAC: ethyl (E)-3-(4-fluoroanilino)but-2-enoate.
Chemical Property Profile of Ethyl 3-(4-fluoroanilino)crotonate
Property Insights of Ethyl 3-(4-fluoroanilino)crotonate
The XLogP value of 2.7045 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-(4-fluoroanilino)crotonate. With a topological polar surface area (TPSA) of 38.33 Ų, Ethyl 3-(4-fluoroanilino)crotonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-(4-fluoroanilino)crotonate has 1 hydrogen bond donor(s) and 3 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 3-(4-fluoroanilino)crotonate?
The CAS number of Ethyl 3-(4-fluoroanilino)crotonate is 870654-23-2.
What is the molecular formula of Ethyl 3-(4-fluoroanilino)crotonate?
The molecular formula of Ethyl 3-(4-fluoroanilino)crotonate is C12H14FNO2.
What is the molecular weight of Ethyl 3-(4-fluoroanilino)crotonate?
The molecular weight of Ethyl 3-(4-fluoroanilino)crotonate is 223.10 g/mol.
Where can I buy Ethyl 3-(4-fluoroanilino)crotonate?
You can request a quote for Ethyl 3-(4-fluoroanilino)crotonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-(4-fluoroanilino)crotonate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(4-fluoroanilino)crotonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.