Ethyl 3,3-difluoro-2-phenylmethoxyprop-2-enoate
TL;DR: Ethyl 3,3-difluoro-2-phenylmethoxyprop-2-enoate (CAS 168101-95-9) is a chemical compound with molecular formula C12H12F2O3 and molecular weight 242.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3,3-difluoro-2-phenylmethoxyprop-2-enoate
Also Known As: ethyl 2-(benzyloxy)-3,3-difluoropropenoate, Ethyl 3,3-difluoro-2-phenylmethoxy-prop-2-enoate
| Molecular Formula | C12H12F2O3 |
|---|---|
| Molecular Weight | 242.08 g/mol |
| LogP | 2.8744 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 242.07545 |
| Heavy Atoms | 17 |
| Complexity | 397.4716 |
Chemical Identifiers
| CAS Number | 168101-95-9 |
|---|---|
| SMILES | CCOC(=O)C(=C(F)F)OCC1=CC=CC=C1 |
Product Overview
Ethyl 3,3-difluoro-2-phenylmethoxyprop-2-enoate (CAS 168101-95-9), with molecular formula C12H12F2O3 and molecular weight 242.08 g/mol. IUPAC: ethyl 3,3-difluoro-2-phenylmethoxyprop-2-enoate.
Chemical Property Profile of Ethyl 3,3-difluoro-2-phenylmethoxyprop-2-enoate
Property Insights of Ethyl 3,3-difluoro-2-phenylmethoxyprop-2-enoate
The XLogP value of 2.8744 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3,3-difluoro-2-phenylmethoxyprop-2-enoate. With a topological polar surface area (TPSA) of 35.53 Ų, Ethyl 3,3-difluoro-2-phenylmethoxyprop-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3,3-difluoro-2-phenylmethoxyprop-2-enoate has 0 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-phenylmethoxyprop-2-enoate?
The CAS number of Ethyl 3,3-difluoro-2-phenylmethoxyprop-2-enoate is 168101-95-9.
What is the molecular formula of Ethyl 3,3-difluoro-2-phenylmethoxyprop-2-enoate?
The molecular formula of Ethyl 3,3-difluoro-2-phenylmethoxyprop-2-enoate is C12H12F2O3.
What is the molecular weight of Ethyl 3,3-difluoro-2-phenylmethoxyprop-2-enoate?
The molecular weight of Ethyl 3,3-difluoro-2-phenylmethoxyprop-2-enoate is 242.08 g/mol.
Where can I buy Ethyl 3,3-difluoro-2-phenylmethoxyprop-2-enoate?
You can request a quote for Ethyl 3,3-difluoro-2-phenylmethoxyprop-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 3,3-difluoro-2-phenylmethoxyprop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3,3-difluoro-2-phenylmethoxyprop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.