4-Isopropyl-2-troponyl difluoroborinate
TL;DR: 4-Isopropyl-2-troponyl difluoroborinate (CAS 2248-50-2) is a chemical compound with molecular formula C10H11BF2O2 and molecular weight 212.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-difluoroboranyloxy-4-propan-2-ylcyclohepta-2,4,6-trien-1-one
Also Known As: 4-Isopropyl-2-troponyl difluoroborinate, difluoro(3-isopropyl-7-oxo-1,3,5-cycloheptatrienyloxy)borane, 2-difluoroboranyloxy-4-propan-2-ylcyclohepta-2,4,6-trien-1-one, 3-Isopropyl-7-oxo-1,3,5-cycloheptatrien-1-yl difluoridoborate #
| Molecular Formula | C10H11BF2O2 |
|---|---|
| Molecular Weight | 212.08 g/mol |
| LogP | 2.4729 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 212.08202 |
| Heavy Atoms | 15 |
| Complexity | 343.0 |
Chemical Identifiers
| CAS Number | 2248-50-2 |
|---|---|
| SMILES | B(OC1=CC(=CC=CC1=O)C(C)C)(F)F |
| InChIKey | JELADPLCUHAUCQ-UHFFFAOYSA-N |
Product Overview
4-Isopropyl-2-troponyl difluoroborinate (CAS 2248-50-2), with molecular formula C10H11BF2O2 and molecular weight 212.08 g/mol. IUPAC: 2-difluoroboranyloxy-4-propan-2-ylcyclohepta-2,4,6-trien-1-one.
Chemical Property Profile of 4-Isopropyl-2-troponyl difluoroborinate
Property Insights of 4-Isopropyl-2-troponyl difluoroborinate
The XLogP value of 2.4729 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Isopropyl-2-troponyl difluoroborinate. With a topological polar surface area (TPSA) of 26.3 Ų, 4-Isopropyl-2-troponyl difluoroborinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Isopropyl-2-troponyl difluoroborinate 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 4-Isopropyl-2-troponyl difluoroborinate?
The CAS number of 4-Isopropyl-2-troponyl difluoroborinate is 2248-50-2.
What is the molecular formula of 4-Isopropyl-2-troponyl difluoroborinate?
The molecular formula of 4-Isopropyl-2-troponyl difluoroborinate is C10H11BF2O2.
What is the molecular weight of 4-Isopropyl-2-troponyl difluoroborinate?
The molecular weight of 4-Isopropyl-2-troponyl difluoroborinate is 212.08 g/mol.
Where can I buy 4-Isopropyl-2-troponyl difluoroborinate?
You can request a quote for 4-Isopropyl-2-troponyl difluoroborinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Isopropyl-2-troponyl difluoroborinate?
Yes, KEHONG BIO provides custom synthesis services for 4-Isopropyl-2-troponyl difluoroborinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.