2-Propenoic acid, 2-fluoro-3-(4-methoxyphenyl)-, ethyl ester
TL;DR: 2-Propenoic acid, 2-fluoro-3-(4-methoxyphenyl)-, ethyl ester (CAS 836-29-3) is a chemical compound with molecular formula C12H13FO3 and molecular weight 224.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-fluoro-3-(4-methoxyphenyl)prop-2-enoate
Also Known As: ethyl 2-fluoro-3-(4-methoxyphenyl)prop-2-enoate, 2-Propenoic acid, 2-fluoro-3-(4-methoxyphenyl)-, ethyl ester, 2-Fluor-3t-<4-methoxy-phenyl>-acrylsaeure-aethylester, RefChem:266299
| Molecular Formula | C12H13FO3 |
|---|---|
| Molecular Weight | 224.08 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 224.08487 |
| Heavy Atoms | 16 |
| Complexity | 255.0 |
Chemical Identifiers
| CAS Number | 836-29-3 |
|---|---|
| SMILES | CCOC(=O)C(=CC1=CC=C(C=C1)OC)F |
| InChIKey | HAVOABSXFULZTO-UHFFFAOYSA-N |
Product Overview
2-Propenoic acid, 2-fluoro-3-(4-methoxyphenyl)-, ethyl ester (CAS 836-29-3), with molecular formula C12H13FO3 and molecular weight 224.08 g/mol. IUPAC: ethyl 2-fluoro-3-(4-methoxyphenyl)prop-2-enoate.
Chemical Property Profile of 2-Propenoic acid, 2-fluoro-3-(4-methoxyphenyl)-, ethyl ester
Property Insights of 2-Propenoic acid, 2-fluoro-3-(4-methoxyphenyl)-, ethyl ester
The XLogP value of 3.2 indicates that 2-Propenoic acid, 2-fluoro-3-(4-methoxyphenyl)-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, 2-Propenoic acid, 2-fluoro-3-(4-methoxyphenyl)-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propenoic acid, 2-fluoro-3-(4-methoxyphenyl)-, ethyl ester 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 2-Propenoic acid, 2-fluoro-3-(4-methoxyphenyl)-, ethyl ester?
The CAS number of 2-Propenoic acid, 2-fluoro-3-(4-methoxyphenyl)-, ethyl ester is 836-29-3.
What is the molecular formula of 2-Propenoic acid, 2-fluoro-3-(4-methoxyphenyl)-, ethyl ester?
The molecular formula of 2-Propenoic acid, 2-fluoro-3-(4-methoxyphenyl)-, ethyl ester is C12H13FO3.
What is the molecular weight of 2-Propenoic acid, 2-fluoro-3-(4-methoxyphenyl)-, ethyl ester?
The molecular weight of 2-Propenoic acid, 2-fluoro-3-(4-methoxyphenyl)-, ethyl ester is 224.08 g/mol.
Where can I buy 2-Propenoic acid, 2-fluoro-3-(4-methoxyphenyl)-, ethyl ester?
You can request a quote for 2-Propenoic acid, 2-fluoro-3-(4-methoxyphenyl)-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propenoic acid, 2-fluoro-3-(4-methoxyphenyl)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Propenoic acid, 2-fluoro-3-(4-methoxyphenyl)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.