4-(Fluoromethyl)benzoylformate
TL;DR: 4-(Fluoromethyl)benzoylformate (CAS 13224-79-8) is a chemical compound with molecular formula C9H7FO3 and molecular weight 182.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(fluoromethyl)phenyl]-2-oxoacetic acid
Also Known As: FMeBF, 4-(Fluoromethyl)benzoylformate, (4-fluromethyl)benzoylformic acid, [4-(fluoromethyl)phenyl](oxo)acetic acid, 2-[4-(fluoromethyl)phenyl]-2-oxoacetic acid
| Molecular Formula | C9H7FO3 |
|---|---|
| Molecular Weight | 182.04 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 182.03792 |
| Heavy Atoms | 13 |
| Complexity | 207.0 |
Chemical Identifiers
| CAS Number | 13224-79-8 |
|---|---|
| SMILES | C1=CC(=CC=C1CF)C(=O)C(=O)O |
| InChIKey | LTAAJPOJBSUBGN-UHFFFAOYSA-N |
Product Overview
4-(Fluoromethyl)benzoylformate (CAS 13224-79-8), with molecular formula C9H7FO3 and molecular weight 182.04 g/mol. IUPAC: 2-[4-(fluoromethyl)phenyl]-2-oxoacetic acid.
Chemical Property Profile of 4-(Fluoromethyl)benzoylformate
Property Insights of 4-(Fluoromethyl)benzoylformate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Fluoromethyl)benzoylformate. With a topological polar surface area (TPSA) of 54.4 Ų, 4-(Fluoromethyl)benzoylformate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Fluoromethyl)benzoylformate has 1 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 4-(Fluoromethyl)benzoylformate?
The CAS number of 4-(Fluoromethyl)benzoylformate is 13224-79-8.
What is the molecular formula of 4-(Fluoromethyl)benzoylformate?
The molecular formula of 4-(Fluoromethyl)benzoylformate is C9H7FO3.
What is the molecular weight of 4-(Fluoromethyl)benzoylformate?
The molecular weight of 4-(Fluoromethyl)benzoylformate is 182.04 g/mol.
Where can I buy 4-(Fluoromethyl)benzoylformate?
You can request a quote for 4-(Fluoromethyl)benzoylformate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Fluoromethyl)benzoylformate?
Yes, KEHONG BIO provides custom synthesis services for 4-(Fluoromethyl)benzoylformate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.