![(1-Methyl-2-oxo-4-bicyclo[2.2.2]octanyl) 4-methylbenzenesulfonate structure](/static/products/2503/25032-97-7.webp)
(1-Methyl-2-oxo-4-bicyclo[2.2.2]octanyl) 4-methylbenzenesulfonate
TL;DR: (1-Methyl-2-oxo-4-bicyclo[2.2.2]octanyl) 4-methylbenzenesulfonate (CAS 25032-97-7) is a chemical compound with molecular formula C16H20O4S and molecular weight 308.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methyl-3-oxo-1-bicyclo[2.2.2]octanyl) 4-methylbenzenesulfonate
Also Known As: (1-methyl-2-oxo-4-bicyclo[2.2.2]octanyl) 4-methylbenzenesulfonate, (1-methyl-2-oxo-4-bicyclo[2.2.2]octanyl) 4-methylbenzenesulf, 4-Methyl-3-oxobicyclo[2.2.2]octan-1-yl 4-methylbenzene-1-sulfonate
| Molecular Formula | C16H20O4S |
|---|---|
| Molecular Weight | 308.11 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 68.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 308.10822 |
| Heavy Atoms | 21 |
| Complexity | 515.0 |
Chemical Identifiers
| CAS Number | 25032-97-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC23CCC(CC2)(C(=O)C3)C |
| InChIKey | PTAGCJBZXRYWRI-UHFFFAOYSA-N |
Product Overview
(1-Methyl-2-oxo-4-bicyclo[2.2.2]octanyl) 4-methylbenzenesulfonate (CAS 25032-97-7), with molecular formula C16H20O4S and molecular weight 308.11 g/mol. IUPAC: (4-methyl-3-oxo-1-bicyclo[2.2.2]octanyl) 4-methylbenzenesulfonate.
Chemical Property Profile of (1-Methyl-2-oxo-4-bicyclo[2.2.2]octanyl) 4-methylbenzenesulfonate
Property Insights of (1-Methyl-2-oxo-4-bicyclo[2.2.2]octanyl) 4-methylbenzenesulfonate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1-Methyl-2-oxo-4-bicyclo[2.2.2]octanyl) 4-methylbenzenesulfonate. The TPSA of 68.8 Ų falls within the moderate polarity range, balancing permeability and solubility for (1-Methyl-2-oxo-4-bicyclo[2.2.2]octanyl) 4-methylbenzenesulfonate. Following Lipinski's Rule of Five, (1-Methyl-2-oxo-4-bicyclo[2.2.2]octanyl) 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 (1-Methyl-2-oxo-4-bicyclo[2.2.2]octanyl) 4-methylbenzenesulfonate?
The CAS number of (1-Methyl-2-oxo-4-bicyclo[2.2.2]octanyl) 4-methylbenzenesulfonate is 25032-97-7.
What is the molecular formula of (1-Methyl-2-oxo-4-bicyclo[2.2.2]octanyl) 4-methylbenzenesulfonate?
The molecular formula of (1-Methyl-2-oxo-4-bicyclo[2.2.2]octanyl) 4-methylbenzenesulfonate is C16H20O4S.
What is the molecular weight of (1-Methyl-2-oxo-4-bicyclo[2.2.2]octanyl) 4-methylbenzenesulfonate?
The molecular weight of (1-Methyl-2-oxo-4-bicyclo[2.2.2]octanyl) 4-methylbenzenesulfonate is 308.11 g/mol.
Where can I buy (1-Methyl-2-oxo-4-bicyclo[2.2.2]octanyl) 4-methylbenzenesulfonate?
You can request a quote for (1-Methyl-2-oxo-4-bicyclo[2.2.2]octanyl) 4-methylbenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1-Methyl-2-oxo-4-bicyclo[2.2.2]octanyl) 4-methylbenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for (1-Methyl-2-oxo-4-bicyclo[2.2.2]octanyl) 4-methylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.