2,4-Diphenyl-5,6,7,8-tetrahydro-1-benzopyran-1-ium trifluoromethanesulfonate
TL;DR: 2,4-Diphenyl-5,6,7,8-tetrahydro-1-benzopyran-1-ium trifluoromethanesulfonate (CAS 81128-01-0) is a chemical compound with molecular formula C22H19F3O4S and molecular weight 436.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-diphenyl-5,6,7,8-tetrahydrochromen-1-ium;trifluoromethanesulfonate
Also Known As: 2,4-Diphenyl-5,6,7,8-tetrahydrochromenylium trifluoromethanesulfonate, 2,4-diphenyl-5,6,7,8-tetrahydrochromen-1-ium;trifluoromethanesulfonate, 2,4-Diphenyl-5,6,7,8-tetrahydrochromenyliumtrifluoromethanesulfonate, 2,4-DIPHENYL-5,6,7,8-TETRAHYDROCHROMENYLIUM TRIFLUOROMETHANESULPHONATE, 2,4-Diphenyl-5,6,7,8-tetrahydro-1-benzopyran-1-ium trifluoromethanesulfonate
| Molecular Formula | C22H19F3O4S |
|---|---|
| Molecular Weight | 436.10 g/mol |
| LogP | 5.8249 |
| Topological Polar Surface Area | 68.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 436.0956 |
| Heavy Atoms | 30 |
| Complexity | 1096.4766 |
Chemical Identifiers
| CAS Number | 81128-01-0 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=CC(=[O+]2)C3=CC=CC=C3)C4=CC=CC=C4.C(F)(F)(F)S(=O)(=O)[O-] |
Product Overview
2,4-Diphenyl-5,6,7,8-tetrahydro-1-benzopyran-1-ium trifluoromethanesulfonate (CAS 81128-01-0), with molecular formula C22H19F3O4S and molecular weight 436.10 g/mol. IUPAC: 2,4-diphenyl-5,6,7,8-tetrahydrochromen-1-ium;trifluoromethanesulfonate.
Chemical Property Profile of 2,4-Diphenyl-5,6,7,8-tetrahydro-1-benzopyran-1-ium trifluoromethanesulfonate
Property Insights of 2,4-Diphenyl-5,6,7,8-tetrahydro-1-benzopyran-1-ium trifluoromethanesulfonate
The XLogP value of 5.8249 indicates that 2,4-Diphenyl-5,6,7,8-tetrahydro-1-benzopyran-1-ium trifluoromethanesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-Diphenyl-5,6,7,8-tetrahydro-1-benzopyran-1-ium trifluoromethanesulfonate. Following Lipinski's Rule of Five, 2,4-Diphenyl-5,6,7,8-tetrahydro-1-benzopyran-1-ium trifluoromethanesulfonate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,4-Diphenyl-5,6,7,8-tetrahydro-1-benzopyran-1-ium trifluoromethanesulfonate?
The CAS number of 2,4-Diphenyl-5,6,7,8-tetrahydro-1-benzopyran-1-ium trifluoromethanesulfonate is 81128-01-0.
What is the molecular formula of 2,4-Diphenyl-5,6,7,8-tetrahydro-1-benzopyran-1-ium trifluoromethanesulfonate?
The molecular formula of 2,4-Diphenyl-5,6,7,8-tetrahydro-1-benzopyran-1-ium trifluoromethanesulfonate is C22H19F3O4S.
What is the molecular weight of 2,4-Diphenyl-5,6,7,8-tetrahydro-1-benzopyran-1-ium trifluoromethanesulfonate?
The molecular weight of 2,4-Diphenyl-5,6,7,8-tetrahydro-1-benzopyran-1-ium trifluoromethanesulfonate is 436.10 g/mol.
Where can I buy 2,4-Diphenyl-5,6,7,8-tetrahydro-1-benzopyran-1-ium trifluoromethanesulfonate?
You can request a quote for 2,4-Diphenyl-5,6,7,8-tetrahydro-1-benzopyran-1-ium trifluoromethanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Diphenyl-5,6,7,8-tetrahydro-1-benzopyran-1-ium trifluoromethanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Diphenyl-5,6,7,8-tetrahydro-1-benzopyran-1-ium trifluoromethanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.