2,2,3,3,4,4,4-Heptafluorobutyl 4-methylbenzene-1-sulfonate
TL;DR: 2,2,3,3,4,4,4-Heptafluorobutyl 4-methylbenzene-1-sulfonate (CAS 312-66-3) is a chemical compound with molecular formula C11H9F7O3S and molecular weight 354.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,3,3,4,4,4-heptafluorobutyl 4-methylbenzenesulfonate
Also Known As: 2,2,3,3,4,4,4-Heptafluorobutyl p-toluenesulfonate, 2,2,3,3,4,4,4-heptafluorobutyl 4-methylbenzenesulfonate, heptafluorobutyl-p-toluenesulphonate, 1H,1H-Heptafluorobutyl 4-toluenesulphonate, 2,2,3,3,4,4,4-heptafluorobutyl 4-methylbenzene-1-sulfonate
| Molecular Formula | C11H9F7O3S |
|---|---|
| Molecular Weight | 354.02 g/mol |
| LogP | 3.53322 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 354.01605 |
| Heavy Atoms | 22 |
| Complexity | 620.08093 |
Chemical Identifiers
| CAS Number | 312-66-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OCC(C(C(F)(F)F)(F)F)(F)F |
Product Overview
2,2,3,3,4,4,4-Heptafluorobutyl 4-methylbenzene-1-sulfonate (CAS 312-66-3), with molecular formula C11H9F7O3S and molecular weight 354.02 g/mol. IUPAC: 2,2,3,3,4,4,4-heptafluorobutyl 4-methylbenzenesulfonate.
Chemical Property Profile of 2,2,3,3,4,4,4-Heptafluorobutyl 4-methylbenzene-1-sulfonate
Property Insights of 2,2,3,3,4,4,4-Heptafluorobutyl 4-methylbenzene-1-sulfonate
The XLogP value of 3.53322 indicates that 2,2,3,3,4,4,4-Heptafluorobutyl 4-methylbenzene-1-sulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.37 Ų, 2,2,3,3,4,4,4-Heptafluorobutyl 4-methylbenzene-1-sulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,3,3,4,4,4-Heptafluorobutyl 4-methylbenzene-1-sulfonate has 0 hydrogen bond donor(s) and 3 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 2,2,3,3,4,4,4-Heptafluorobutyl 4-methylbenzene-1-sulfonate?
The CAS number of 2,2,3,3,4,4,4-Heptafluorobutyl 4-methylbenzene-1-sulfonate is 312-66-3.
What is the molecular formula of 2,2,3,3,4,4,4-Heptafluorobutyl 4-methylbenzene-1-sulfonate?
The molecular formula of 2,2,3,3,4,4,4-Heptafluorobutyl 4-methylbenzene-1-sulfonate is C11H9F7O3S.
What is the molecular weight of 2,2,3,3,4,4,4-Heptafluorobutyl 4-methylbenzene-1-sulfonate?
The molecular weight of 2,2,3,3,4,4,4-Heptafluorobutyl 4-methylbenzene-1-sulfonate is 354.02 g/mol.
Where can I buy 2,2,3,3,4,4,4-Heptafluorobutyl 4-methylbenzene-1-sulfonate?
You can request a quote for 2,2,3,3,4,4,4-Heptafluorobutyl 4-methylbenzene-1-sulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,3,3,4,4,4-Heptafluorobutyl 4-methylbenzene-1-sulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2,2,3,3,4,4,4-Heptafluorobutyl 4-methylbenzene-1-sulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.