Methyl 4-fluoro-2-methylbenzoate
TL;DR: Methyl 4-fluoro-2-methylbenzoate (CAS 174403-69-1) is a chemical compound with molecular formula C9H9FO2 and molecular weight 168.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-fluoro-2-methylbenzoate
Also Known As: methyl 4-fluoro-2-methylbenzoate, RARECHEM AL BF 0506, Methyl 4-fluoro-2-methyl-benzoate, BENZOIC ACID, 4-FLUORO-2-METHYL-, METHYL ESTER, methyl4-fluoro-2-methylbenzoate
| Molecular Formula | C9H9FO2 |
|---|---|
| Molecular Weight | 168.06 g/mol |
| LogP | 1.92072 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 168.05865 |
| Heavy Atoms | 12 |
| Complexity | 307.39688 |
Chemical Identifiers
| CAS Number | 174403-69-1 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)F)C(=O)OC |
Product Overview
Methyl 4-fluoro-2-methylbenzoate (CAS 174403-69-1), with molecular formula C9H9FO2 and molecular weight 168.06 g/mol. IUPAC: methyl 4-fluoro-2-methylbenzoate.
Chemical Property Profile of Methyl 4-fluoro-2-methylbenzoate
Property Insights of Methyl 4-fluoro-2-methylbenzoate
The XLogP value of 1.92072 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-fluoro-2-methylbenzoate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 4-fluoro-2-methylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-fluoro-2-methylbenzoate has 0 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 Methyl 4-fluoro-2-methylbenzoate?
The CAS number of Methyl 4-fluoro-2-methylbenzoate is 174403-69-1.
What is the molecular formula of Methyl 4-fluoro-2-methylbenzoate?
The molecular formula of Methyl 4-fluoro-2-methylbenzoate is C9H9FO2.
What is the molecular weight of Methyl 4-fluoro-2-methylbenzoate?
The molecular weight of Methyl 4-fluoro-2-methylbenzoate is 168.06 g/mol.
Where can I buy Methyl 4-fluoro-2-methylbenzoate?
You can request a quote for Methyl 4-fluoro-2-methylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-fluoro-2-methylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-fluoro-2-methylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.