2-Troponyl difluoroborate
TL;DR: 2-Troponyl difluoroborate (CAS 451-14-9) is a chemical compound with molecular formula C7H5BF2O2 and molecular weight 170.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-difluoroboranyloxycyclohepta-2,4,6-trien-1-one
Also Known As: 2-Troponyl difluoroborate, J3.793.066K, 2-difluoroboranyloxycyclohepta-2,4,6-trien-1-one, 7-Oxocyclohepta-1,3,5-trien-1-yl borodifluoridate, 7-oxocyclohepta-1,3,5-trien-1-yl difluoroborinate
| Molecular Formula | C7H5BF2O2 |
|---|---|
| Molecular Weight | 170.04 g/mol |
| LogP | 1.3495 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 170.03506 |
| Heavy Atoms | 12 |
| Complexity | 269.0 |
Chemical Identifiers
| CAS Number | 451-14-9 |
|---|---|
| SMILES | B(OC1=CC=CC=CC1=O)(F)F |
| InChIKey | WINMWRBMDFNBMQ-UHFFFAOYSA-N |
Product Overview
2-Troponyl difluoroborate (CAS 451-14-9), with molecular formula C7H5BF2O2 and molecular weight 170.04 g/mol. IUPAC: 2-difluoroboranyloxycyclohepta-2,4,6-trien-1-one.
Chemical Property Profile of 2-Troponyl difluoroborate
Property Insights of 2-Troponyl difluoroborate
The XLogP value of 1.3495 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Troponyl difluoroborate. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Troponyl difluoroborate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Troponyl difluoroborate 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-Troponyl difluoroborate?
The CAS number of 2-Troponyl difluoroborate is 451-14-9.
What is the molecular formula of 2-Troponyl difluoroborate?
The molecular formula of 2-Troponyl difluoroborate is C7H5BF2O2.
What is the molecular weight of 2-Troponyl difluoroborate?
The molecular weight of 2-Troponyl difluoroborate is 170.04 g/mol.
Where can I buy 2-Troponyl difluoroborate?
You can request a quote for 2-Troponyl difluoroborate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Troponyl difluoroborate?
Yes, KEHONG BIO provides custom synthesis services for 2-Troponyl difluoroborate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.