1,1,1-Trifluoro-2-methylpropan-2-yl 4-methylbenzenesulfinate
TL;DR: 1,1,1-Trifluoro-2-methylpropan-2-yl 4-methylbenzenesulfinate (CAS 23826-79-1) is a chemical compound with molecular formula C11H13F3O2S and molecular weight 266.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1,1,1-trifluoro-2-methylpropan-2-yl) 4-methylbenzenesulfinate
Also Known As: KST-1B2037, 1,1,1-trifluoro-2-methylpropan-2-yl 4-methylbenzenesulfinate, (1,1,1-trifluoro-2-methylpropan-2-yl) 4-methylbenzenesulfinate, (1,1,1-trifluoro-2-methylpropan-2-yl) 4-methylbenzenesulfina, 1,1,1-Trifluoro-2-methylpropan-2-yl 4-methylbenzene-1-sulfinate
| Molecular Formula | C11H13F3O2S |
|---|---|
| Molecular Weight | 266.06 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 45.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 266.05884 |
| Heavy Atoms | 17 |
| Complexity | 281.0 |
Chemical Identifiers
| CAS Number | 23826-79-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)OC(C)(C)C(F)(F)F |
| InChIKey | MJNLCPYFGOMXQV-UHFFFAOYSA-N |
Product Overview
1,1,1-Trifluoro-2-methylpropan-2-yl 4-methylbenzenesulfinate (CAS 23826-79-1), with molecular formula C11H13F3O2S and molecular weight 266.06 g/mol. IUPAC: (1,1,1-trifluoro-2-methylpropan-2-yl) 4-methylbenzenesulfinate.
Chemical Property Profile of 1,1,1-Trifluoro-2-methylpropan-2-yl 4-methylbenzenesulfinate
Property Insights of 1,1,1-Trifluoro-2-methylpropan-2-yl 4-methylbenzenesulfinate
The XLogP value of 3.5 indicates that 1,1,1-Trifluoro-2-methylpropan-2-yl 4-methylbenzenesulfinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.5 Ų, 1,1,1-Trifluoro-2-methylpropan-2-yl 4-methylbenzenesulfinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1,1-Trifluoro-2-methylpropan-2-yl 4-methylbenzenesulfinate has 0 hydrogen bond donor(s) and 6 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 1,1,1-Trifluoro-2-methylpropan-2-yl 4-methylbenzenesulfinate?
The CAS number of 1,1,1-Trifluoro-2-methylpropan-2-yl 4-methylbenzenesulfinate is 23826-79-1.
What is the molecular formula of 1,1,1-Trifluoro-2-methylpropan-2-yl 4-methylbenzenesulfinate?
The molecular formula of 1,1,1-Trifluoro-2-methylpropan-2-yl 4-methylbenzenesulfinate is C11H13F3O2S.
What is the molecular weight of 1,1,1-Trifluoro-2-methylpropan-2-yl 4-methylbenzenesulfinate?
The molecular weight of 1,1,1-Trifluoro-2-methylpropan-2-yl 4-methylbenzenesulfinate is 266.06 g/mol.
Where can I buy 1,1,1-Trifluoro-2-methylpropan-2-yl 4-methylbenzenesulfinate?
You can request a quote for 1,1,1-Trifluoro-2-methylpropan-2-yl 4-methylbenzenesulfinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1,1-Trifluoro-2-methylpropan-2-yl 4-methylbenzenesulfinate?
Yes, KEHONG BIO provides custom synthesis services for 1,1,1-Trifluoro-2-methylpropan-2-yl 4-methylbenzenesulfinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.