![2-Buten-1-one, 3-[(difluoroboryl)oxy]-1-phenyl- structure](/static/products/5327/532-75-2.webp)
2-Buten-1-one, 3-[(difluoroboryl)oxy]-1-phenyl-
TL;DR: 2-Buten-1-one, 3-[(difluoroboryl)oxy]-1-phenyl- (CAS 532-75-2) is a chemical compound with molecular formula C10H9BF2O2 and molecular weight 210.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-difluoroboranyloxy-1-phenylbut-2-en-1-one
Also Known As: 3-difluoroboranyloxy-1-phenylbut-2-en-1-one, 2-Buten-1-one, 3-[(difluoroboryl)oxy]-1-phenyl-, 4-oxo-4-phenylbut-2-en-2-yl borodifluoridate
| Molecular Formula | C10H9BF2O2 |
|---|---|
| Molecular Weight | 210.07 g/mol |
| LogP | 2.7136 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 210.06636 |
| Heavy Atoms | 15 |
| Complexity | 248.0 |
Chemical Identifiers
| CAS Number | 532-75-2 |
|---|---|
| SMILES | B(OC(=CC(=O)C1=CC=CC=C1)C)(F)F |
| InChIKey | RZCCAZYNYSFELP-UHFFFAOYSA-N |
Product Overview
2-Buten-1-one, 3-[(difluoroboryl)oxy]-1-phenyl- (CAS 532-75-2), with molecular formula C10H9BF2O2 and molecular weight 210.07 g/mol. IUPAC: 3-difluoroboranyloxy-1-phenylbut-2-en-1-one.
Chemical Property Profile of 2-Buten-1-one, 3-[(difluoroboryl)oxy]-1-phenyl-
Property Insights of 2-Buten-1-one, 3-[(difluoroboryl)oxy]-1-phenyl-
The XLogP value of 2.7136 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Buten-1-one, 3-[(difluoroboryl)oxy]-1-phenyl-. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Buten-1-one, 3-[(difluoroboryl)oxy]-1-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Buten-1-one, 3-[(difluoroboryl)oxy]-1-phenyl- has 0 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 2-Buten-1-one, 3-[(difluoroboryl)oxy]-1-phenyl-?
The CAS number of 2-Buten-1-one, 3-[(difluoroboryl)oxy]-1-phenyl- is 532-75-2.
What is the molecular formula of 2-Buten-1-one, 3-[(difluoroboryl)oxy]-1-phenyl-?
The molecular formula of 2-Buten-1-one, 3-[(difluoroboryl)oxy]-1-phenyl- is C10H9BF2O2.
What is the molecular weight of 2-Buten-1-one, 3-[(difluoroboryl)oxy]-1-phenyl-?
The molecular weight of 2-Buten-1-one, 3-[(difluoroboryl)oxy]-1-phenyl- is 210.07 g/mol.
Where can I buy 2-Buten-1-one, 3-[(difluoroboryl)oxy]-1-phenyl-?
You can request a quote for 2-Buten-1-one, 3-[(difluoroboryl)oxy]-1-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Buten-1-one, 3-[(difluoroboryl)oxy]-1-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 2-Buten-1-one, 3-[(difluoroboryl)oxy]-1-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.