3-Acetyl-2-oxo-2H-chromen-4-yl difluoridoborate
TL;DR: 3-Acetyl-2-oxo-2H-chromen-4-yl difluoridoborate (CAS 873326-02-4) is a chemical compound with molecular formula C11H7BF2O4 and molecular weight 252.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-acetyl-4-difluoroboranyloxychromen-2-one
Also Known As: 3-Acetyl-2-oxo-2H-chromen-4-yl difluoridoborate, 3-acetyl-4-difluoroboranyloxychromen-2-one, 3-acetyl-4-difluoroboryloxycoumarin, Coumarine, 3-acetyl-4-difluoroboroxy-, 3-acetyl-2-oxo-2H-chromen-4-yl difluoroborinate
| Molecular Formula | C11H7BF2O4 |
|---|---|
| Molecular Weight | 252.04 g/mol |
| LogP | 2.2983 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 252.04054 |
| Heavy Atoms | 18 |
| Complexity | 408.0 |
Chemical Identifiers
| CAS Number | 873326-02-4 |
|---|---|
| SMILES | B(OC1=C(C(=O)OC2=CC=CC=C21)C(=O)C)(F)F |
| InChIKey | BNQCWJMYPTZHOG-UHFFFAOYSA-N |
Product Overview
3-Acetyl-2-oxo-2H-chromen-4-yl difluoridoborate (CAS 873326-02-4), with molecular formula C11H7BF2O4 and molecular weight 252.04 g/mol. IUPAC: 3-acetyl-4-difluoroboranyloxychromen-2-one.
Chemical Property Profile of 3-Acetyl-2-oxo-2H-chromen-4-yl difluoridoborate
Property Insights of 3-Acetyl-2-oxo-2H-chromen-4-yl difluoridoborate
The XLogP value of 2.2983 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Acetyl-2-oxo-2H-chromen-4-yl difluoridoborate. With a topological polar surface area (TPSA) of 52.6 Ų, 3-Acetyl-2-oxo-2H-chromen-4-yl difluoridoborate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Acetyl-2-oxo-2H-chromen-4-yl difluoridoborate has 0 hydrogen bond donor(s) and 6 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 3-Acetyl-2-oxo-2H-chromen-4-yl difluoridoborate?
The CAS number of 3-Acetyl-2-oxo-2H-chromen-4-yl difluoridoborate is 873326-02-4.
What is the molecular formula of 3-Acetyl-2-oxo-2H-chromen-4-yl difluoridoborate?
The molecular formula of 3-Acetyl-2-oxo-2H-chromen-4-yl difluoridoborate is C11H7BF2O4.
What is the molecular weight of 3-Acetyl-2-oxo-2H-chromen-4-yl difluoridoborate?
The molecular weight of 3-Acetyl-2-oxo-2H-chromen-4-yl difluoridoborate is 252.04 g/mol.
Where can I buy 3-Acetyl-2-oxo-2H-chromen-4-yl difluoridoborate?
You can request a quote for 3-Acetyl-2-oxo-2H-chromen-4-yl difluoridoborate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Acetyl-2-oxo-2H-chromen-4-yl difluoridoborate?
Yes, KEHONG BIO provides custom synthesis services for 3-Acetyl-2-oxo-2H-chromen-4-yl difluoridoborate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.