3-Fluoro-4-methylcinnamic acid
TL;DR: 3-Fluoro-4-methylcinnamic acid (CAS 694511-55-2) is a chemical compound with molecular formula C10H9FO2 and molecular weight 180.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(3-fluoro-4-methylphenyl)prop-2-enoic acid
Also Known As: 3-Fluoro-4-methylcinnamic acid, 3-(3-Fluoro-4-methylphenyl)acrylic acid, (2E)-3-(3-fluoro-4-methylphenyl)prop-2-enoic acid, (E)-3-(3-fluoro-4-methylphenyl)prop-2-enoic acid, (E)-3-fluoro-4-methyl-cinnamic acid
| Molecular Formula | C10H9FO2 |
|---|---|
| Molecular Weight | 180.06 g/mol |
| LogP | 2.23192 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 180.05865 |
| Heavy Atoms | 13 |
| Complexity | 355.9424 |
Chemical Identifiers
| CAS Number | 694511-55-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)/C=C/C(=O)O)F |
Product Overview
3-Fluoro-4-methylcinnamic acid (CAS 694511-55-2), with molecular formula C10H9FO2 and molecular weight 180.06 g/mol. IUPAC: (E)-3-(3-fluoro-4-methylphenyl)prop-2-enoic acid.
Chemical Property Profile of 3-Fluoro-4-methylcinnamic acid
Property Insights of 3-Fluoro-4-methylcinnamic acid
The XLogP value of 2.23192 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Fluoro-4-methylcinnamic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 3-Fluoro-4-methylcinnamic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Fluoro-4-methylcinnamic acid has 1 hydrogen bond donor(s) and 1 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-methylcinnamic acid?
The CAS number of 3-Fluoro-4-methylcinnamic acid is 694511-55-2.
What is the molecular formula of 3-Fluoro-4-methylcinnamic acid?
The molecular formula of 3-Fluoro-4-methylcinnamic acid is C10H9FO2.
What is the molecular weight of 3-Fluoro-4-methylcinnamic acid?
The molecular weight of 3-Fluoro-4-methylcinnamic acid is 180.06 g/mol.
Where can I buy 3-Fluoro-4-methylcinnamic acid?
You can request a quote for 3-Fluoro-4-methylcinnamic 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-methylcinnamic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Fluoro-4-methylcinnamic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.