2-Methoxyethyl 2-cyano-3-(4-fluorophenyl)prop-2-enoate
TL;DR: 2-Methoxyethyl 2-cyano-3-(4-fluorophenyl)prop-2-enoate (CAS 893754-99-9) is a chemical compound with molecular formula C13H12FNO3 and molecular weight 249.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methoxyethyl 2-cyano-3-(4-fluorophenyl)prop-2-enoate
Also Known As: 2-methoxyethyl 2-cyano-3-(4-fluorophenyl)prop-2-enoate, 2-Methoxyethyl 2-cyano-3-(4-fluorophenyl)-2-propenoate
| Molecular Formula | C13H12FNO3 |
|---|---|
| Molecular Weight | 249.08 g/mol |
| LogP | 1.92228 |
| Topological Polar Surface Area | 59.32 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 249.08012 |
| Heavy Atoms | 18 |
| Complexity | 474.00488 |
Chemical Identifiers
| CAS Number | 893754-99-9 |
|---|---|
| SMILES | COCCOC(=O)C(=CC1=CC=C(C=C1)F)C#N |
Product Overview
2-Methoxyethyl 2-cyano-3-(4-fluorophenyl)prop-2-enoate (CAS 893754-99-9), with molecular formula C13H12FNO3 and molecular weight 249.08 g/mol. IUPAC: 2-methoxyethyl 2-cyano-3-(4-fluorophenyl)prop-2-enoate.
Chemical Property Profile of 2-Methoxyethyl 2-cyano-3-(4-fluorophenyl)prop-2-enoate
Property Insights of 2-Methoxyethyl 2-cyano-3-(4-fluorophenyl)prop-2-enoate
The XLogP value of 1.92228 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methoxyethyl 2-cyano-3-(4-fluorophenyl)prop-2-enoate. With a topological polar surface area (TPSA) of 59.32 Ų, 2-Methoxyethyl 2-cyano-3-(4-fluorophenyl)prop-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methoxyethyl 2-cyano-3-(4-fluorophenyl)prop-2-enoate has 0 hydrogen bond donor(s) and 4 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-Methoxyethyl 2-cyano-3-(4-fluorophenyl)prop-2-enoate?
The CAS number of 2-Methoxyethyl 2-cyano-3-(4-fluorophenyl)prop-2-enoate is 893754-99-9.
What is the molecular formula of 2-Methoxyethyl 2-cyano-3-(4-fluorophenyl)prop-2-enoate?
The molecular formula of 2-Methoxyethyl 2-cyano-3-(4-fluorophenyl)prop-2-enoate is C13H12FNO3.
What is the molecular weight of 2-Methoxyethyl 2-cyano-3-(4-fluorophenyl)prop-2-enoate?
The molecular weight of 2-Methoxyethyl 2-cyano-3-(4-fluorophenyl)prop-2-enoate is 249.08 g/mol.
Where can I buy 2-Methoxyethyl 2-cyano-3-(4-fluorophenyl)prop-2-enoate?
You can request a quote for 2-Methoxyethyl 2-cyano-3-(4-fluorophenyl)prop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methoxyethyl 2-cyano-3-(4-fluorophenyl)prop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Methoxyethyl 2-cyano-3-(4-fluorophenyl)prop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.