3-Fluoro-4-methoxycinnamic acid
TL;DR: 3-Fluoro-4-methoxycinnamic acid (CAS 7418-36-2) is a chemical compound with molecular formula C10H9FO3 and molecular weight 196.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoic acid
Also Known As: 3-Fluoro-4-methoxycinnamic acid, 3'-Fluoro-4'-methoxycinnamic acid, (2E)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoic acid, 3-Fluoro-4-methoxycinnamicacid, 3-(3-Fluoro-4-methoxyphenyl)acrylic acid
| Molecular Formula | C10H9FO3 |
|---|---|
| Molecular Weight | 196.05 g/mol |
| LogP | 1.9321 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 196.05357 |
| Heavy Atoms | 14 |
| Complexity | 371.6299 |
Chemical Identifiers
| CAS Number | 7418-36-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)/C=C/C(=O)O)F |
Product Overview
3-Fluoro-4-methoxycinnamic acid (CAS 7418-36-2), with molecular formula C10H9FO3 and molecular weight 196.05 g/mol. IUPAC: (E)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoic acid.
Chemical Property Profile of 3-Fluoro-4-methoxycinnamic acid
Property Insights of 3-Fluoro-4-methoxycinnamic acid
The XLogP value of 1.9321 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Fluoro-4-methoxycinnamic acid. With a topological polar surface area (TPSA) of 46.53 Ų, 3-Fluoro-4-methoxycinnamic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Fluoro-4-methoxycinnamic acid has 1 hydrogen bond donor(s) and 2 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 3-Fluoro-4-methoxycinnamic acid?
The CAS number of 3-Fluoro-4-methoxycinnamic acid is 7418-36-2.
What is the molecular formula of 3-Fluoro-4-methoxycinnamic acid?
The molecular formula of 3-Fluoro-4-methoxycinnamic acid is C10H9FO3.
What is the molecular weight of 3-Fluoro-4-methoxycinnamic acid?
The molecular weight of 3-Fluoro-4-methoxycinnamic acid is 196.05 g/mol.
Where can I buy 3-Fluoro-4-methoxycinnamic acid?
You can request a quote for 3-Fluoro-4-methoxycinnamic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Fluoro-4-methoxycinnamic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Fluoro-4-methoxycinnamic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.