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Ethyl 2-cyano-3-[(4-fluorophenyl)methylamino]prop-2-enoate
TL;DR: Ethyl 2-cyano-3-[(4-fluorophenyl)methylamino]prop-2-enoate (CAS 1025644-67-0) is a chemical compound with molecular formula C13H13FN2O2 and molecular weight 248.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-cyano-3-[(4-fluorophenyl)methylamino]prop-2-enoate
Also Known As: Ethyl 2-cyano-3-[(4-fluorophenyl)methylamino]prop-2-enoate, ethyl 2-cyano-3-{[(4-fluorophenyl)methyl]amino}prop-2-enoate, ethyl (Z)-2-cyano-3-[(4-fluorobenzyl)amino]-2-propenoate, ethyl (2Z)-2-cyano-3-{[(4-fluorophenyl)methyl]amino}prop-2-enoate, Ethyl 2-nitrilo-3-(((4-fluorophenyl)methyl)amino)prop-2-enoate
| Molecular Formula | C13H13FN2O2 |
|---|---|
| Molecular Weight | 248.10 g/mol |
| LogP | 1.88588 |
| Topological Polar Surface Area | 62.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 248.0961 |
| Heavy Atoms | 18 |
| Complexity | 474.75977 |
Chemical Identifiers
| CAS Number | 1025644-67-0 |
|---|---|
| SMILES | CCOC(=O)C(=CNCC1=CC=C(C=C1)F)C#N |
Product Overview
Ethyl 2-cyano-3-[(4-fluorophenyl)methylamino]prop-2-enoate (CAS 1025644-67-0), with molecular formula C13H13FN2O2 and molecular weight 248.10 g/mol. IUPAC: ethyl 2-cyano-3-[(4-fluorophenyl)methylamino]prop-2-enoate.
Chemical Property Profile of Ethyl 2-cyano-3-[(4-fluorophenyl)methylamino]prop-2-enoate
Property Insights of Ethyl 2-cyano-3-[(4-fluorophenyl)methylamino]prop-2-enoate
The XLogP value of 1.88588 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-cyano-3-[(4-fluorophenyl)methylamino]prop-2-enoate. The TPSA of 62.12 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-cyano-3-[(4-fluorophenyl)methylamino]prop-2-enoate. Following Lipinski's Rule of Five, Ethyl 2-cyano-3-[(4-fluorophenyl)methylamino]prop-2-enoate has 1 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 Ethyl 2-cyano-3-[(4-fluorophenyl)methylamino]prop-2-enoate?
The CAS number of Ethyl 2-cyano-3-[(4-fluorophenyl)methylamino]prop-2-enoate is 1025644-67-0.
What is the molecular formula of Ethyl 2-cyano-3-[(4-fluorophenyl)methylamino]prop-2-enoate?
The molecular formula of Ethyl 2-cyano-3-[(4-fluorophenyl)methylamino]prop-2-enoate is C13H13FN2O2.
What is the molecular weight of Ethyl 2-cyano-3-[(4-fluorophenyl)methylamino]prop-2-enoate?
The molecular weight of Ethyl 2-cyano-3-[(4-fluorophenyl)methylamino]prop-2-enoate is 248.10 g/mol.
Where can I buy Ethyl 2-cyano-3-[(4-fluorophenyl)methylamino]prop-2-enoate?
You can request a quote for Ethyl 2-cyano-3-[(4-fluorophenyl)methylamino]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 Ethyl 2-cyano-3-[(4-fluorophenyl)methylamino]prop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-cyano-3-[(4-fluorophenyl)methylamino]prop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.