![2,2,6,6-Tetramethylhept-4-yn-3-yl (7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl)methanesulfonate structure](/static/products/7236/7236-76-2.webp)
2,2,6,6-Tetramethylhept-4-yn-3-yl (7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl)methanesulfonate
TL;DR: 2,2,6,6-Tetramethylhept-4-yn-3-yl (7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl)methanesulfonate (CAS 7236-76-2) is a chemical compound with molecular formula C21H34O4S and molecular weight 382.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,6,6-tetramethylhept-4-yn-3-yl (7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonate
Also Known As: 2,2,6,6-Tetramethylhept-4-yn-3-yl (7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl)methanesulfonate, 2,2,6,6-tetramethylhept-4-yn-3-yl (7,7-dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl)methanesulfonate, 7,7-dimethyl-1-(2,2,6,6-tetramethylhept-4-yn-3-yloxysulfonylmethyl)bicyclo[2.2.1]heptan-2-one
| Molecular Formula | C21H34O4S |
|---|---|
| Molecular Weight | 382.22 g/mol |
| LogP | 4.1924 |
| Topological Polar Surface Area | 60.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 382.21777 |
| Heavy Atoms | 26 |
| Complexity | 737.5964 |
Chemical Identifiers
| CAS Number | 7236-76-2 |
|---|---|
| SMILES | CC1(C2CCC1(C(=O)C2)CS(=O)(=O)OC(C#CC(C)(C)C)C(C)(C)C)C |
Product Overview
2,2,6,6-Tetramethylhept-4-yn-3-yl (7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl)methanesulfonate (CAS 7236-76-2), with molecular formula C21H34O4S and molecular weight 382.22 g/mol. IUPAC: 2,2,6,6-tetramethylhept-4-yn-3-yl (7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonate.
Chemical Property Profile of 2,2,6,6-Tetramethylhept-4-yn-3-yl (7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl)methanesulfonate
Property Insights of 2,2,6,6-Tetramethylhept-4-yn-3-yl (7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl)methanesulfonate
The XLogP value of 4.1924 indicates that 2,2,6,6-Tetramethylhept-4-yn-3-yl (7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl)methanesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2,6,6-Tetramethylhept-4-yn-3-yl (7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl)methanesulfonate. Following Lipinski's Rule of Five, 2,2,6,6-Tetramethylhept-4-yn-3-yl (7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl)methanesulfonate 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 2,2,6,6-Tetramethylhept-4-yn-3-yl (7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl)methanesulfonate?
The CAS number of 2,2,6,6-Tetramethylhept-4-yn-3-yl (7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl)methanesulfonate is 7236-76-2.
What is the molecular formula of 2,2,6,6-Tetramethylhept-4-yn-3-yl (7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl)methanesulfonate?
The molecular formula of 2,2,6,6-Tetramethylhept-4-yn-3-yl (7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl)methanesulfonate is C21H34O4S.
What is the molecular weight of 2,2,6,6-Tetramethylhept-4-yn-3-yl (7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl)methanesulfonate?
The molecular weight of 2,2,6,6-Tetramethylhept-4-yn-3-yl (7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl)methanesulfonate is 382.22 g/mol.
Where can I buy 2,2,6,6-Tetramethylhept-4-yn-3-yl (7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl)methanesulfonate?
You can request a quote for 2,2,6,6-Tetramethylhept-4-yn-3-yl (7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl)methanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,6,6-Tetramethylhept-4-yn-3-yl (7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl)methanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2,2,6,6-Tetramethylhept-4-yn-3-yl (7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl)methanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.