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Ethyl n-[1-(4-fluorophenyl)ethyl]-n-formylglycinate
TL;DR: Ethyl n-[1-(4-fluorophenyl)ethyl]-n-formylglycinate (CAS 7036-16-0) is a chemical compound with molecular formula C13H16FNO3 and molecular weight 253.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[1-(4-fluorophenyl)ethyl-formylamino]acetate
Also Known As: ethyl n-[1-(4-fluorophenyl)ethyl]-n-formylglycinate, Ethyl (1)-N-(1-(4-fluorophenyl)ethyl)-N-formylaminoacetate, ethyl 2-[1-(4-fluorophenyl)ethyl-formylamino]acetate, EINECS 230-315-0
| Molecular Formula | C13H16FNO3 |
|---|---|
| Molecular Weight | 253.11 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 253.11142 |
| Heavy Atoms | 18 |
| Complexity | 277.0 |
Chemical Identifiers
| CAS Number | 7036-16-0 |
|---|---|
| SMILES | CCOC(=O)CN(C=O)C(C)C1=CC=C(C=C1)F |
| InChIKey | JIXJQIMECGPEGT-UHFFFAOYSA-N |
Product Overview
Ethyl n-[1-(4-fluorophenyl)ethyl]-n-formylglycinate (CAS 7036-16-0), with molecular formula C13H16FNO3 and molecular weight 253.11 g/mol. IUPAC: ethyl 2-[1-(4-fluorophenyl)ethyl-formylamino]acetate.
Chemical Property Profile of Ethyl n-[1-(4-fluorophenyl)ethyl]-n-formylglycinate
Property Insights of Ethyl n-[1-(4-fluorophenyl)ethyl]-n-formylglycinate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl n-[1-(4-fluorophenyl)ethyl]-n-formylglycinate. With a topological polar surface area (TPSA) of 46.6 Ų, Ethyl n-[1-(4-fluorophenyl)ethyl]-n-formylglycinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl n-[1-(4-fluorophenyl)ethyl]-n-formylglycinate 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 Ethyl n-[1-(4-fluorophenyl)ethyl]-n-formylglycinate?
The CAS number of Ethyl n-[1-(4-fluorophenyl)ethyl]-n-formylglycinate is 7036-16-0.
What is the molecular formula of Ethyl n-[1-(4-fluorophenyl)ethyl]-n-formylglycinate?
The molecular formula of Ethyl n-[1-(4-fluorophenyl)ethyl]-n-formylglycinate is C13H16FNO3.
What is the molecular weight of Ethyl n-[1-(4-fluorophenyl)ethyl]-n-formylglycinate?
The molecular weight of Ethyl n-[1-(4-fluorophenyl)ethyl]-n-formylglycinate is 253.11 g/mol.
Where can I buy Ethyl n-[1-(4-fluorophenyl)ethyl]-n-formylglycinate?
You can request a quote for Ethyl n-[1-(4-fluorophenyl)ethyl]-n-formylglycinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl n-[1-(4-fluorophenyl)ethyl]-n-formylglycinate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl n-[1-(4-fluorophenyl)ethyl]-n-formylglycinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.