Ethyl 3,3-difluoro-2-hydroxy-4-phenylbutanoate
TL;DR: Ethyl 3,3-difluoro-2-hydroxy-4-phenylbutanoate (CAS 144156-83-2) is a chemical compound with molecular formula C12H14F2O3 and molecular weight 244.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3,3-difluoro-2-hydroxy-4-phenylbutanoate
Also Known As: ethyl 3,3-difluoro-2-hydroxy-4-phenylbutanoate, Ethyl 3,3-difluoro-2-hydroxy-4-phenyl-butanoate, 2-Hydroxy-3,3-difluoro-4-phenylbutyric acid ethyl ester
| Molecular Formula | C12H14F2O3 |
|---|---|
| Molecular Weight | 244.09 g/mol |
| LogP | 1.7884 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 244.0911 |
| Heavy Atoms | 17 |
| Complexity | 365.27332 |
Chemical Identifiers
| CAS Number | 144156-83-2 |
|---|---|
| SMILES | CCOC(=O)C(C(CC1=CC=CC=C1)(F)F)O |
Product Overview
Ethyl 3,3-difluoro-2-hydroxy-4-phenylbutanoate (CAS 144156-83-2), with molecular formula C12H14F2O3 and molecular weight 244.09 g/mol. IUPAC: ethyl 3,3-difluoro-2-hydroxy-4-phenylbutanoate.
Chemical Property Profile of Ethyl 3,3-difluoro-2-hydroxy-4-phenylbutanoate
Property Insights of Ethyl 3,3-difluoro-2-hydroxy-4-phenylbutanoate
The XLogP value of 1.7884 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3,3-difluoro-2-hydroxy-4-phenylbutanoate. With a topological polar surface area (TPSA) of 46.53 Ų, Ethyl 3,3-difluoro-2-hydroxy-4-phenylbutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3,3-difluoro-2-hydroxy-4-phenylbutanoate 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 3,3-difluoro-2-hydroxy-4-phenylbutanoate?
The CAS number of Ethyl 3,3-difluoro-2-hydroxy-4-phenylbutanoate is 144156-83-2.
What is the molecular formula of Ethyl 3,3-difluoro-2-hydroxy-4-phenylbutanoate?
The molecular formula of Ethyl 3,3-difluoro-2-hydroxy-4-phenylbutanoate is C12H14F2O3.
What is the molecular weight of Ethyl 3,3-difluoro-2-hydroxy-4-phenylbutanoate?
The molecular weight of Ethyl 3,3-difluoro-2-hydroxy-4-phenylbutanoate is 244.09 g/mol.
Where can I buy Ethyl 3,3-difluoro-2-hydroxy-4-phenylbutanoate?
You can request a quote for Ethyl 3,3-difluoro-2-hydroxy-4-phenylbutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3,3-difluoro-2-hydroxy-4-phenylbutanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3,3-difluoro-2-hydroxy-4-phenylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.