Ethyl 3-(2,5-difluorophenyl)propanoate
TL;DR: Ethyl 3-(2,5-difluorophenyl)propanoate (CAS 959232-75-8) is a chemical compound with molecular formula C11H12F2O2 and molecular weight 214.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(2,5-difluorophenyl)propanoate
Also Known As: Ethyl 3-(2,5-difluorophenyl)propanoate, Ethyl 3-(2',5'-difluorophenyl)propionate, Ethyl 3-(2,5-difluorophenyl)propanoate #, Propanoic acid, 3-(2,5-difluorophenyl)-, ethyl ester, 3-(2,5-difluoro-phenyl)-propionic acid ethyl ester
| Molecular Formula | C11H12F2O2 |
|---|---|
| Molecular Weight | 214.08 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 214.08054 |
| Heavy Atoms | 15 |
| Complexity | 209.0 |
Chemical Identifiers
| CAS Number | 959232-75-8 |
|---|---|
| SMILES | CCOC(=O)CCC1=C(C=CC(=C1)F)F |
| InChIKey | QONPMHPNGTVYSP-UHFFFAOYSA-N |
Product Overview
Ethyl 3-(2,5-difluorophenyl)propanoate (CAS 959232-75-8), with molecular formula C11H12F2O2 and molecular weight 214.08 g/mol. IUPAC: ethyl 3-(2,5-difluorophenyl)propanoate.
Chemical Property Profile of Ethyl 3-(2,5-difluorophenyl)propanoate
Property Insights of Ethyl 3-(2,5-difluorophenyl)propanoate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-(2,5-difluorophenyl)propanoate. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl 3-(2,5-difluorophenyl)propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-(2,5-difluorophenyl)propanoate 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 3-(2,5-difluorophenyl)propanoate?
The CAS number of Ethyl 3-(2,5-difluorophenyl)propanoate is 959232-75-8.
What is the molecular formula of Ethyl 3-(2,5-difluorophenyl)propanoate?
The molecular formula of Ethyl 3-(2,5-difluorophenyl)propanoate is C11H12F2O2.
What is the molecular weight of Ethyl 3-(2,5-difluorophenyl)propanoate?
The molecular weight of Ethyl 3-(2,5-difluorophenyl)propanoate is 214.08 g/mol.
Where can I buy Ethyl 3-(2,5-difluorophenyl)propanoate?
You can request a quote for Ethyl 3-(2,5-difluorophenyl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-(2,5-difluorophenyl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(2,5-difluorophenyl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.