![Ethanone, 1-[2-[(difluoroboryl)oxy]-5-methylphenyl]- structure](/static/products/5780/57803-23-3.webp)
Ethanone, 1-[2-[(difluoroboryl)oxy]-5-methylphenyl]-
TL;DR: Ethanone, 1-[2-[(difluoroboryl)oxy]-5-methylphenyl]- (CAS 57803-23-3) is a chemical compound with molecular formula C9H9BF2O2 and molecular weight 198.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-difluoroboranyloxy-5-methylphenyl)ethanone
Also Known As: 2-Acetyl-4-methylphenyl borodifluoridate, 2-acetyl-4-methylphenyl difluoridoborate, 1-(2-difluoroboranyloxy-5-methylphenyl)ethanone, Ethanone, 1-[2-[(difluoroboryl)oxy]-5-methylphenyl]-, 1-(2-difluoroboranyloxy-5-methyl-phenyl)ethanone
| Molecular Formula | C9H9BF2O2 |
|---|---|
| Molecular Weight | 198.07 g/mol |
| LogP | 2.50032 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 198.06636 |
| Heavy Atoms | 14 |
| Complexity | 352.66522 |
Chemical Identifiers
| CAS Number | 57803-23-3 |
|---|---|
| SMILES | B(OC1=C(C=C(C=C1)C)C(=O)C)(F)F |
Product Overview
Ethanone, 1-[2-[(difluoroboryl)oxy]-5-methylphenyl]- (CAS 57803-23-3), with molecular formula C9H9BF2O2 and molecular weight 198.07 g/mol. IUPAC: 1-(2-difluoroboranyloxy-5-methylphenyl)ethanone.
Chemical Property Profile of Ethanone, 1-[2-[(difluoroboryl)oxy]-5-methylphenyl]-
Property Insights of Ethanone, 1-[2-[(difluoroboryl)oxy]-5-methylphenyl]-
The XLogP value of 2.50032 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanone, 1-[2-[(difluoroboryl)oxy]-5-methylphenyl]-. With a topological polar surface area (TPSA) of 26.3 Ų, Ethanone, 1-[2-[(difluoroboryl)oxy]-5-methylphenyl]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethanone, 1-[2-[(difluoroboryl)oxy]-5-methylphenyl]- 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 Ethanone, 1-[2-[(difluoroboryl)oxy]-5-methylphenyl]-?
The CAS number of Ethanone, 1-[2-[(difluoroboryl)oxy]-5-methylphenyl]- is 57803-23-3.
What is the molecular formula of Ethanone, 1-[2-[(difluoroboryl)oxy]-5-methylphenyl]-?
The molecular formula of Ethanone, 1-[2-[(difluoroboryl)oxy]-5-methylphenyl]- is C9H9BF2O2.
What is the molecular weight of Ethanone, 1-[2-[(difluoroboryl)oxy]-5-methylphenyl]-?
The molecular weight of Ethanone, 1-[2-[(difluoroboryl)oxy]-5-methylphenyl]- is 198.07 g/mol.
Where can I buy Ethanone, 1-[2-[(difluoroboryl)oxy]-5-methylphenyl]-?
You can request a quote for Ethanone, 1-[2-[(difluoroboryl)oxy]-5-methylphenyl]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanone, 1-[2-[(difluoroboryl)oxy]-5-methylphenyl]-?
Yes, KEHONG BIO provides custom synthesis services for Ethanone, 1-[2-[(difluoroboryl)oxy]-5-methylphenyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.