1,1-Diphenyl-3,3-bis(trifluoromethyl)-2,1-benzoxaphosphol-1-ium
TL;DR: 1,1-Diphenyl-3,3-bis(trifluoromethyl)-2,1-benzoxaphosphol-1-ium (CAS 77047-91-7) is a chemical compound with molecular formula C21H14F6OP+ and molecular weight 427.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-diphenyl-3,3-bis(trifluoromethyl)-2,1-benzoxaphosphol-1-ium
Also Known As: J1.601.836H, J2.102.792H, 1,1-diphenyl-3,3-bis(trifluoromethyl)-2,1-benzoxaphosphol-1-ium, 1,1-diphenyl-3,3-bis(trifluoromethyl)-2,1-benzoxaphosphol-1-, 1,1-Diphenyl-3,3-bis(trifluoromethyl)-1,3-dihydro-1-phosphonia-2-oxa-2H-indene
| Molecular Formula | C21H14F6OP+ |
|---|---|
| Molecular Weight | 427.07 g/mol |
| LogP | 5.2456 |
| Topological Polar Surface Area | 9.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 427.06863 |
| Heavy Atoms | 29 |
| Complexity | 961.0914 |
Chemical Identifiers
| CAS Number | 77047-91-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)[P+]2(C3=CC=CC=C3C(O2)(C(F)(F)F)C(F)(F)F)C4=CC=CC=C4 |
Product Overview
1,1-Diphenyl-3,3-bis(trifluoromethyl)-2,1-benzoxaphosphol-1-ium (CAS 77047-91-7), with molecular formula C21H14F6OP+ and molecular weight 427.07 g/mol. IUPAC: 1,1-diphenyl-3,3-bis(trifluoromethyl)-2,1-benzoxaphosphol-1-ium.
Chemical Property Profile of 1,1-Diphenyl-3,3-bis(trifluoromethyl)-2,1-benzoxaphosphol-1-ium
Property Insights of 1,1-Diphenyl-3,3-bis(trifluoromethyl)-2,1-benzoxaphosphol-1-ium
The XLogP value of 5.2456 indicates that 1,1-Diphenyl-3,3-bis(trifluoromethyl)-2,1-benzoxaphosphol-1-ium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.23 Ų, 1,1-Diphenyl-3,3-bis(trifluoromethyl)-2,1-benzoxaphosphol-1-ium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1-Diphenyl-3,3-bis(trifluoromethyl)-2,1-benzoxaphosphol-1-ium has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,1-Diphenyl-3,3-bis(trifluoromethyl)-2,1-benzoxaphosphol-1-ium?
The CAS number of 1,1-Diphenyl-3,3-bis(trifluoromethyl)-2,1-benzoxaphosphol-1-ium is 77047-91-7.
What is the molecular formula of 1,1-Diphenyl-3,3-bis(trifluoromethyl)-2,1-benzoxaphosphol-1-ium?
The molecular formula of 1,1-Diphenyl-3,3-bis(trifluoromethyl)-2,1-benzoxaphosphol-1-ium is C21H14F6OP+.
What is the molecular weight of 1,1-Diphenyl-3,3-bis(trifluoromethyl)-2,1-benzoxaphosphol-1-ium?
The molecular weight of 1,1-Diphenyl-3,3-bis(trifluoromethyl)-2,1-benzoxaphosphol-1-ium is 427.07 g/mol.
Where can I buy 1,1-Diphenyl-3,3-bis(trifluoromethyl)-2,1-benzoxaphosphol-1-ium?
You can request a quote for 1,1-Diphenyl-3,3-bis(trifluoromethyl)-2,1-benzoxaphosphol-1-ium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1-Diphenyl-3,3-bis(trifluoromethyl)-2,1-benzoxaphosphol-1-ium?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Diphenyl-3,3-bis(trifluoromethyl)-2,1-benzoxaphosphol-1-ium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.