5,5'-dimethyl-3,3,3',3'-tetrakis(trifluoromethyl)-1,1'-spiro
TL;DR: 5,5'-dimethyl-3,3,3',3'-tetrakis(trifluoromethyl)-1,1'-spiro (CAS 71401-73-5) is a chemical compound with molecular formula C20H12F12O2P+ and molecular weight 543.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,5'-dimethyl-3,3,3',3'-tetrakis(trifluoromethyl)-1,1'-spirobi[2,1-benzoxaphosphol-1-ium]
Also Known As: 5,5'-dimethyl-3,3,3',3'-tetrakis(trifluoromethyl)-1,1'-spiro, 5,5'-dimethyl-3,3,3',3'-tetrakis(trifluoromethyl)-1,1'-spirobi[2,1-benzoxaphosphol-1-ium], C(F)(F)(F)C1(OP2(OC(c3cc(C)ccc23)(C(F)(F)F)C(F)(F)F)c4ccc(C)cc14)C(F)(F)F, 1.lambda.5-1,1'(3H,3'H)-Spirobi[2,1-benzoxaphosphole], 5,5'-dimethyl-3,3,3',3'-tetrakis(trifluoromethyl)-
| Molecular Formula | C20H12F12O2P+ |
|---|---|
| Molecular Weight | 543.04 g/mol |
| LogP | 6.80204 |
| Topological Polar Surface Area | 18.46 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 543.0383 |
| Heavy Atoms | 35 |
| Complexity | 1071.0474 |
Chemical Identifiers
| CAS Number | 71401-73-5 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)[P+]3(C4=C(C=C(C=C4)C)C(O3)(C(F)(F)F)C(F)(F)F)OC2(C(F)(F)F)C(F)(F)F |
Product Overview
5,5'-dimethyl-3,3,3',3'-tetrakis(trifluoromethyl)-1,1'-spiro (CAS 71401-73-5), with molecular formula C20H12F12O2P+ and molecular weight 543.04 g/mol. IUPAC: 5,5'-dimethyl-3,3,3',3'-tetrakis(trifluoromethyl)-1,1'-spirobi[2,1-benzoxaphosphol-1-ium].
Chemical Property Profile of 5,5'-dimethyl-3,3,3',3'-tetrakis(trifluoromethyl)-1,1'-spiro
Property Insights of 5,5'-dimethyl-3,3,3',3'-tetrakis(trifluoromethyl)-1,1'-spiro
The XLogP value of 6.80204 indicates that 5,5'-dimethyl-3,3,3',3'-tetrakis(trifluoromethyl)-1,1'-spiro is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.46 Ų, 5,5'-dimethyl-3,3,3',3'-tetrakis(trifluoromethyl)-1,1'-spiro exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,5'-dimethyl-3,3,3',3'-tetrakis(trifluoromethyl)-1,1'-spiro has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5,5'-dimethyl-3,3,3',3'-tetrakis(trifluoromethyl)-1,1'-spiro?
The CAS number of 5,5'-dimethyl-3,3,3',3'-tetrakis(trifluoromethyl)-1,1'-spiro is 71401-73-5.
What is the molecular formula of 5,5'-dimethyl-3,3,3',3'-tetrakis(trifluoromethyl)-1,1'-spiro?
The molecular formula of 5,5'-dimethyl-3,3,3',3'-tetrakis(trifluoromethyl)-1,1'-spiro is C20H12F12O2P+.
What is the molecular weight of 5,5'-dimethyl-3,3,3',3'-tetrakis(trifluoromethyl)-1,1'-spiro?
The molecular weight of 5,5'-dimethyl-3,3,3',3'-tetrakis(trifluoromethyl)-1,1'-spiro is 543.04 g/mol.
Where can I buy 5,5'-dimethyl-3,3,3',3'-tetrakis(trifluoromethyl)-1,1'-spiro?
You can request a quote for 5,5'-dimethyl-3,3,3',3'-tetrakis(trifluoromethyl)-1,1'-spiro directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,5'-dimethyl-3,3,3',3'-tetrakis(trifluoromethyl)-1,1'-spiro?
Yes, KEHONG BIO provides custom synthesis services for 5,5'-dimethyl-3,3,3',3'-tetrakis(trifluoromethyl)-1,1'-spiro and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.