1H,1H,7H-Dodecafluoroheptyl toluene-4-sulphonate
TL;DR: 1H,1H,7H-Dodecafluoroheptyl toluene-4-sulphonate (CAS 42935-25-1) is a chemical compound with molecular formula C14H10F12O3S and molecular weight 486.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl 4-methylbenzenesulfonate
Also Known As: 1h,1h,7h-dodecafluoroheptyl p-toluenesulfonate, 2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptyl 4-methylbenzenesulfonate, 1H,1H,7H-Perfluoroheptyl 4-methylbenzenesulfonate, 1H,1H,7H-Dodecafluoroheptyl toluene-4-sulphonate, 1H,1H,7H-Perfluoroheptyl 4-toluenesulphonate
| Molecular Formula | C14H10F12O3S |
|---|---|
| Molecular Weight | 486.02 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 9 |
| Exact Mass | 486.0159 |
| Heavy Atoms | 30 |
| Complexity | 693.0 |
Chemical Identifiers
| CAS Number | 42935-25-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OCC(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F |
| InChIKey | OXJVZWUUXGCJLH-UHFFFAOYSA-N |
Product Overview
1H,1H,7H-Dodecafluoroheptyl toluene-4-sulphonate (CAS 42935-25-1), with molecular formula C14H10F12O3S and molecular weight 486.02 g/mol. IUPAC: 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl 4-methylbenzenesulfonate.
Chemical Property Profile of 1H,1H,7H-Dodecafluoroheptyl toluene-4-sulphonate
Property Insights of 1H,1H,7H-Dodecafluoroheptyl toluene-4-sulphonate
The XLogP value of 5.8 indicates that 1H,1H,7H-Dodecafluoroheptyl toluene-4-sulphonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.8 Ų, 1H,1H,7H-Dodecafluoroheptyl toluene-4-sulphonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H,1H,7H-Dodecafluoroheptyl toluene-4-sulphonate has 0 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1H,1H,7H-Dodecafluoroheptyl toluene-4-sulphonate?
The CAS number of 1H,1H,7H-Dodecafluoroheptyl toluene-4-sulphonate is 42935-25-1.
What is the molecular formula of 1H,1H,7H-Dodecafluoroheptyl toluene-4-sulphonate?
The molecular formula of 1H,1H,7H-Dodecafluoroheptyl toluene-4-sulphonate is C14H10F12O3S.
What is the molecular weight of 1H,1H,7H-Dodecafluoroheptyl toluene-4-sulphonate?
The molecular weight of 1H,1H,7H-Dodecafluoroheptyl toluene-4-sulphonate is 486.02 g/mol.
Where can I buy 1H,1H,7H-Dodecafluoroheptyl toluene-4-sulphonate?
You can request a quote for 1H,1H,7H-Dodecafluoroheptyl toluene-4-sulphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H,1H,7H-Dodecafluoroheptyl toluene-4-sulphonate?
Yes, KEHONG BIO provides custom synthesis services for 1H,1H,7H-Dodecafluoroheptyl toluene-4-sulphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.