2,2,4,4-Tetramethyl-3-oxocyclobutyl 4-methylbenzenesulfonate
TL;DR: 2,2,4,4-Tetramethyl-3-oxocyclobutyl 4-methylbenzenesulfonate (CAS 13621-26-6) is a chemical compound with molecular formula C15H20O4S and molecular weight 296.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,2,4,4-tetramethyl-3-oxocyclobutyl) 4-methylbenzenesulfonate
Also Known As: 2,2,4,4-tetramethyl-3-oxocyclobutyl 4-methylbenzenesulfonate, 3-p-Tosyloxy-2,2,4,4-tetramethyl-cyclobutanon, (2,2,4,4-tetramethyl-3-oxocyclobutyl) 4-methylbenzenesulfonate, (2,2,4,4-tetramethyl-3-oxocyclobutyl) 4-methylbenzenesulfona, 2,2,4,4-Tetramethyl-3-oxocyclobutyl 4-methylbenzene-1-sulfonate
| Molecular Formula | C15H20O4S |
|---|---|
| Molecular Weight | 296.11 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 68.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 296.10822 |
| Heavy Atoms | 20 |
| Complexity | 472.0 |
Chemical Identifiers
| CAS Number | 13621-26-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC2C(C(=O)C2(C)C)(C)C |
| InChIKey | ISFJSTSHBLGJRH-UHFFFAOYSA-N |
Product Overview
2,2,4,4-Tetramethyl-3-oxocyclobutyl 4-methylbenzenesulfonate (CAS 13621-26-6), with molecular formula C15H20O4S and molecular weight 296.11 g/mol. IUPAC: (2,2,4,4-tetramethyl-3-oxocyclobutyl) 4-methylbenzenesulfonate.
Chemical Property Profile of 2,2,4,4-Tetramethyl-3-oxocyclobutyl 4-methylbenzenesulfonate
Property Insights of 2,2,4,4-Tetramethyl-3-oxocyclobutyl 4-methylbenzenesulfonate
The XLogP value of 3.0 indicates that 2,2,4,4-Tetramethyl-3-oxocyclobutyl 4-methylbenzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2,4,4-Tetramethyl-3-oxocyclobutyl 4-methylbenzenesulfonate. Following Lipinski's Rule of Five, 2,2,4,4-Tetramethyl-3-oxocyclobutyl 4-methylbenzenesulfonate has 0 hydrogen bond donor(s) and 4 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 2,2,4,4-Tetramethyl-3-oxocyclobutyl 4-methylbenzenesulfonate?
The CAS number of 2,2,4,4-Tetramethyl-3-oxocyclobutyl 4-methylbenzenesulfonate is 13621-26-6.
What is the molecular formula of 2,2,4,4-Tetramethyl-3-oxocyclobutyl 4-methylbenzenesulfonate?
The molecular formula of 2,2,4,4-Tetramethyl-3-oxocyclobutyl 4-methylbenzenesulfonate is C15H20O4S.
What is the molecular weight of 2,2,4,4-Tetramethyl-3-oxocyclobutyl 4-methylbenzenesulfonate?
The molecular weight of 2,2,4,4-Tetramethyl-3-oxocyclobutyl 4-methylbenzenesulfonate is 296.11 g/mol.
Where can I buy 2,2,4,4-Tetramethyl-3-oxocyclobutyl 4-methylbenzenesulfonate?
You can request a quote for 2,2,4,4-Tetramethyl-3-oxocyclobutyl 4-methylbenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,4,4-Tetramethyl-3-oxocyclobutyl 4-methylbenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2,2,4,4-Tetramethyl-3-oxocyclobutyl 4-methylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.