Methyl 2,3,4,5,6-pentafluoro-beta-oxobenzenepropanoate
TL;DR: Methyl 2,3,4,5,6-pentafluoro-beta-oxobenzenepropanoate (CAS 677326-69-1) is a chemical compound with molecular formula C10H5F5O3 and molecular weight 268.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-oxo-3-(2,3,4,5,6-pentafluorophenyl)propanoate
Also Known As: Not Available, 3-Oxo-3-pentafluorophenylpropionic acid methyl ester, 3-Oxo-3-pentafluorophenylpropionicacidmethylester, METHYL 3-OXO-3-(PENTAFLUOROPHENYL)PROPANOATE, ethyl 3-oxo-3-(2,3,4,5,6-pentafluorophenyl)propanoate
| Molecular Formula | C10H5F5O3 |
|---|---|
| Molecular Weight | 268.02 g/mol |
| LogP | 2.1279 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 268.0159 |
| Heavy Atoms | 18 |
| Complexity | 497.72983 |
Chemical Identifiers
| CAS Number | 677326-69-1 |
|---|---|
| SMILES | COC(=O)CC(=O)C1=C(C(=C(C(=C1F)F)F)F)F |
Product Overview
Methyl 2,3,4,5,6-pentafluoro-beta-oxobenzenepropanoate (CAS 677326-69-1), with molecular formula C10H5F5O3 and molecular weight 268.02 g/mol. IUPAC: methyl 3-oxo-3-(2,3,4,5,6-pentafluorophenyl)propanoate.
Chemical Property Profile of Methyl 2,3,4,5,6-pentafluoro-beta-oxobenzenepropanoate
Property Insights of Methyl 2,3,4,5,6-pentafluoro-beta-oxobenzenepropanoate
The XLogP value of 2.1279 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2,3,4,5,6-pentafluoro-beta-oxobenzenepropanoate. With a topological polar surface area (TPSA) of 43.37 Ų, Methyl 2,3,4,5,6-pentafluoro-beta-oxobenzenepropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2,3,4,5,6-pentafluoro-beta-oxobenzenepropanoate 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 2,3,4,5,6-pentafluoro-beta-oxobenzenepropanoate?
The CAS number of Methyl 2,3,4,5,6-pentafluoro-beta-oxobenzenepropanoate is 677326-69-1.
What is the molecular formula of Methyl 2,3,4,5,6-pentafluoro-beta-oxobenzenepropanoate?
The molecular formula of Methyl 2,3,4,5,6-pentafluoro-beta-oxobenzenepropanoate is C10H5F5O3.
What is the molecular weight of Methyl 2,3,4,5,6-pentafluoro-beta-oxobenzenepropanoate?
The molecular weight of Methyl 2,3,4,5,6-pentafluoro-beta-oxobenzenepropanoate is 268.02 g/mol.
Where can I buy Methyl 2,3,4,5,6-pentafluoro-beta-oxobenzenepropanoate?
You can request a quote for Methyl 2,3,4,5,6-pentafluoro-beta-oxobenzenepropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2,3,4,5,6-pentafluoro-beta-oxobenzenepropanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2,3,4,5,6-pentafluoro-beta-oxobenzenepropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.