2,2-Difluoro-4-methyl-6-phenyl-3-oxa-1-oxonia-2-boranuidacyclohexa-4,6-diene
TL;DR: 2,2-Difluoro-4-methyl-6-phenyl-3-oxa-1-oxonia-2-boranuidacyclohexa-4,6-diene (CAS 14871-98-8) 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.
2,2-difluoro-4-methyl-6-phenyl-3-oxa-1-oxonia-2-boranuidacyclohexa-4,6-diene
Also Known As: difluoro[4-(hydroxy-kappaO)-4-phenylbut-3-en-2-onato-kappaO]boron, 2,2-difluoro-4-methyl-6-phenyl-3-oxa-1-oxonia-2-boranuidacyclohexa-4,6-diene, 2,2-difluoro-6-methyl-4-phenyl-1-oxa-3-oxonia-2-boranuidacyclohexa-3,5-diene
| Molecular Formula | C10H9BF2O2 |
|---|---|
| Molecular Weight | 210.07 g/mol |
| LogP | 2.7136 |
| Topological Polar Surface Area | 20.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 210.06636 |
| Heavy Atoms | 15 |
| Complexity | 426.30835 |
Chemical Identifiers
| CAS Number | 14871-98-8 |
|---|---|
| SMILES | [B-]1(OC(=CC(=[O+]1)C2=CC=CC=C2)C)(F)F |
Product Overview
2,2-Difluoro-4-methyl-6-phenyl-3-oxa-1-oxonia-2-boranuidacyclohexa-4,6-diene (CAS 14871-98-8), with molecular formula C10H9BF2O2 and molecular weight 210.07 g/mol. IUPAC: 2,2-difluoro-4-methyl-6-phenyl-3-oxa-1-oxonia-2-boranuidacyclohexa-4,6-diene.
Chemical Property Profile of 2,2-Difluoro-4-methyl-6-phenyl-3-oxa-1-oxonia-2-boranuidacyclohexa-4,6-diene
Property Insights of 2,2-Difluoro-4-methyl-6-phenyl-3-oxa-1-oxonia-2-boranuidacyclohexa-4,6-diene
The XLogP value of 2.7136 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-Difluoro-4-methyl-6-phenyl-3-oxa-1-oxonia-2-boranuidacyclohexa-4,6-diene. With a topological polar surface area (TPSA) of 20.53 Ų, 2,2-Difluoro-4-methyl-6-phenyl-3-oxa-1-oxonia-2-boranuidacyclohexa-4,6-diene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Difluoro-4-methyl-6-phenyl-3-oxa-1-oxonia-2-boranuidacyclohexa-4,6-diene has 0 hydrogen bond donor(s) and 1 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 2,2-Difluoro-4-methyl-6-phenyl-3-oxa-1-oxonia-2-boranuidacyclohexa-4,6-diene?
The CAS number of 2,2-Difluoro-4-methyl-6-phenyl-3-oxa-1-oxonia-2-boranuidacyclohexa-4,6-diene is 14871-98-8.
What is the molecular formula of 2,2-Difluoro-4-methyl-6-phenyl-3-oxa-1-oxonia-2-boranuidacyclohexa-4,6-diene?
The molecular formula of 2,2-Difluoro-4-methyl-6-phenyl-3-oxa-1-oxonia-2-boranuidacyclohexa-4,6-diene is C10H9BF2O2.
What is the molecular weight of 2,2-Difluoro-4-methyl-6-phenyl-3-oxa-1-oxonia-2-boranuidacyclohexa-4,6-diene?
The molecular weight of 2,2-Difluoro-4-methyl-6-phenyl-3-oxa-1-oxonia-2-boranuidacyclohexa-4,6-diene is 210.07 g/mol.
Where can I buy 2,2-Difluoro-4-methyl-6-phenyl-3-oxa-1-oxonia-2-boranuidacyclohexa-4,6-diene?
You can request a quote for 2,2-Difluoro-4-methyl-6-phenyl-3-oxa-1-oxonia-2-boranuidacyclohexa-4,6-diene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Difluoro-4-methyl-6-phenyl-3-oxa-1-oxonia-2-boranuidacyclohexa-4,6-diene?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Difluoro-4-methyl-6-phenyl-3-oxa-1-oxonia-2-boranuidacyclohexa-4,6-diene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.