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Ethyl 4-{[(4-fluorophenyl)methyl]amino}butanoate
TL;DR: Ethyl 4-{[(4-fluorophenyl)methyl]amino}butanoate (CAS 656814-91-4) is a chemical compound with molecular formula C13H18FNO2 and molecular weight 239.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(4-fluorophenyl)methylamino]butanoate
Also Known As: ethyl 4-[(4-fluorobenzyl)amino]butanoate, Ethyl 4-[(4-fluorophenyl)methylamino]butanoate, ETHYL 4-{[(4-FLUOROPHENYL)METHYL]AMINO}BUTANOATE
| Molecular Formula | C13H18FNO2 |
|---|---|
| Molecular Weight | 239.13 g/mol |
| LogP | 2.2586 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 239.13216 |
| Heavy Atoms | 17 |
| Complexity | 337.77762 |
Chemical Identifiers
| CAS Number | 656814-91-4 |
|---|---|
| SMILES | CCOC(=O)CCCNCC1=CC=C(C=C1)F |
Product Overview
Ethyl 4-{[(4-fluorophenyl)methyl]amino}butanoate (CAS 656814-91-4), with molecular formula C13H18FNO2 and molecular weight 239.13 g/mol. IUPAC: ethyl 4-[(4-fluorophenyl)methylamino]butanoate.
Chemical Property Profile of Ethyl 4-{[(4-fluorophenyl)methyl]amino}butanoate
Property Insights of Ethyl 4-{[(4-fluorophenyl)methyl]amino}butanoate
The XLogP value of 2.2586 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-{[(4-fluorophenyl)methyl]amino}butanoate. With a topological polar surface area (TPSA) of 38.33 Ų, Ethyl 4-{[(4-fluorophenyl)methyl]amino}butanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-{[(4-fluorophenyl)methyl]amino}butanoate 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 4-{[(4-fluorophenyl)methyl]amino}butanoate?
The CAS number of Ethyl 4-{[(4-fluorophenyl)methyl]amino}butanoate is 656814-91-4.
What is the molecular formula of Ethyl 4-{[(4-fluorophenyl)methyl]amino}butanoate?
The molecular formula of Ethyl 4-{[(4-fluorophenyl)methyl]amino}butanoate is C13H18FNO2.
What is the molecular weight of Ethyl 4-{[(4-fluorophenyl)methyl]amino}butanoate?
The molecular weight of Ethyl 4-{[(4-fluorophenyl)methyl]amino}butanoate is 239.13 g/mol.
Where can I buy Ethyl 4-{[(4-fluorophenyl)methyl]amino}butanoate?
You can request a quote for Ethyl 4-{[(4-fluorophenyl)methyl]amino}butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-{[(4-fluorophenyl)methyl]amino}butanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-{[(4-fluorophenyl)methyl]amino}butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.