![Methyl 2-[(2-fluorophenyl)methyl]-3-oxobutanoate structure](/static/products/986/98601-37-7.png)
Methyl 2-[(2-fluorophenyl)methyl]-3-oxobutanoate
TL;DR: Methyl 2-[(2-fluorophenyl)methyl]-3-oxobutanoate (CAS 98601-37-7) 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.
methyl 2-[(2-fluorophenyl)methyl]-3-oxobutanoate
Also Known As: methyl 2-[(2-fluorophenyl)methyl]-3-oxobutanoate, 2-(2-Fluorobenzyl)-3-oxo-butyric acid methylester, Methyl 2-(2-fluorobenzyl)-3-oxobutanoate, methyl 2-[(2-fluorophenyl)methyl]-3-oxo-butanoate, 2-(2-FLUORO-BENZYL)-3-OXO-BUTYRIC ACID METHYLESTER
| Molecular Formula | C12H13FO3 |
|---|---|
| Molecular Weight | 224.08 g/mol |
| LogP | 1.7464 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 224.08487 |
| Heavy Atoms | 16 |
| Complexity | 401.00528 |
Chemical Identifiers
| CAS Number | 98601-37-7 |
|---|---|
| SMILES | CC(=O)C(CC1=CC=CC=C1F)C(=O)OC |
Product Overview
Methyl 2-[(2-fluorophenyl)methyl]-3-oxobutanoate (CAS 98601-37-7), with molecular formula C12H13FO3 and molecular weight 224.08 g/mol. IUPAC: methyl 2-[(2-fluorophenyl)methyl]-3-oxobutanoate.
Chemical Property Profile of Methyl 2-[(2-fluorophenyl)methyl]-3-oxobutanoate
Property Insights of Methyl 2-[(2-fluorophenyl)methyl]-3-oxobutanoate
The XLogP value of 1.7464 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-[(2-fluorophenyl)methyl]-3-oxobutanoate. With a topological polar surface area (TPSA) of 43.37 Ų, Methyl 2-[(2-fluorophenyl)methyl]-3-oxobutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-[(2-fluorophenyl)methyl]-3-oxobutanoate has 0 hydrogen bond donor(s) and 3 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 2-[(2-fluorophenyl)methyl]-3-oxobutanoate?
The CAS number of Methyl 2-[(2-fluorophenyl)methyl]-3-oxobutanoate is 98601-37-7.
What is the molecular formula of Methyl 2-[(2-fluorophenyl)methyl]-3-oxobutanoate?
The molecular formula of Methyl 2-[(2-fluorophenyl)methyl]-3-oxobutanoate is C12H13FO3.
What is the molecular weight of Methyl 2-[(2-fluorophenyl)methyl]-3-oxobutanoate?
The molecular weight of Methyl 2-[(2-fluorophenyl)methyl]-3-oxobutanoate is 224.08 g/mol.
Where can I buy Methyl 2-[(2-fluorophenyl)methyl]-3-oxobutanoate?
You can request a quote for Methyl 2-[(2-fluorophenyl)methyl]-3-oxobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-[(2-fluorophenyl)methyl]-3-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-[(2-fluorophenyl)methyl]-3-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.