(2-Methylphenyl) 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
TL;DR: (2-Methylphenyl) 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate (CAS 42096-33-3) is a chemical compound with molecular formula C11H7F9O3S and molecular weight 390.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methylphenyl) 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
Also Known As: (2-methylphenyl) 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate, 2-Methylphenyl nonafluorobutane-1-sulfonate, J1.985.181H, Nonafluorobutane-1-sulfonic acid 2-methylphenyl ester, o-tolyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
| Molecular Formula | C11H7F9O3S |
|---|---|
| Molecular Weight | 390.00 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 5 |
| Exact Mass | 389.99722 |
| Heavy Atoms | 24 |
| Complexity | 550.0 |
Chemical Identifiers
| CAS Number | 42096-33-3 |
|---|---|
| SMILES | CC1=CC=CC=C1OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F |
| InChIKey | WZUNVFIAAJWKIF-UHFFFAOYSA-N |
Product Overview
(2-Methylphenyl) 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate (CAS 42096-33-3), with molecular formula C11H7F9O3S and molecular weight 390.00 g/mol. IUPAC: (2-methylphenyl) 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate.
Chemical Property Profile of (2-Methylphenyl) 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
Property Insights of (2-Methylphenyl) 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
The XLogP value of 5.1 indicates that (2-Methylphenyl) 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.8 Ų, (2-Methylphenyl) 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2-Methylphenyl) 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (2-Methylphenyl) 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate?
The CAS number of (2-Methylphenyl) 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate is 42096-33-3.
What is the molecular formula of (2-Methylphenyl) 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate?
The molecular formula of (2-Methylphenyl) 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate is C11H7F9O3S.
What is the molecular weight of (2-Methylphenyl) 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate?
The molecular weight of (2-Methylphenyl) 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate is 390.00 g/mol.
Where can I buy (2-Methylphenyl) 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate?
You can request a quote for (2-Methylphenyl) 1,1,2,2,3,3,4,4,4-nonafluorobutane-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-Methylphenyl) 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate?
Yes, KEHONG BIO provides custom synthesis services for (2-Methylphenyl) 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.