2,2,4,4-Tetramethyl-3-oxocyclobutyl methanesulfonate
TL;DR: 2,2,4,4-Tetramethyl-3-oxocyclobutyl methanesulfonate (CAS 500862-18-0) is a chemical compound with molecular formula C9H16O4S and molecular weight 220.08 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) methanesulfonate
Also Known As: 2,2,4,4-tetramethyl-3-oxocyclobutyl methanesulfonate, (2,2,4,4-tetramethyl-3-oxocyclobutyl) methanesulfonate
| Molecular Formula | C9H16O4S |
|---|---|
| Molecular Weight | 220.08 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 68.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 220.07693 |
| Heavy Atoms | 14 |
| Complexity | 341.0 |
Chemical Identifiers
| CAS Number | 500862-18-0 |
|---|---|
| SMILES | CC1(C(C(C1=O)(C)C)OS(=O)(=O)C)C |
| InChIKey | GMRDAASBLJVJED-UHFFFAOYSA-N |
Product Overview
2,2,4,4-Tetramethyl-3-oxocyclobutyl methanesulfonate (CAS 500862-18-0), with molecular formula C9H16O4S and molecular weight 220.08 g/mol. IUPAC: (2,2,4,4-tetramethyl-3-oxocyclobutyl) methanesulfonate.
Chemical Property Profile of 2,2,4,4-Tetramethyl-3-oxocyclobutyl methanesulfonate
Property Insights of 2,2,4,4-Tetramethyl-3-oxocyclobutyl methanesulfonate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2,4,4-Tetramethyl-3-oxocyclobutyl methanesulfonate. The TPSA of 68.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2,4,4-Tetramethyl-3-oxocyclobutyl methanesulfonate. Following Lipinski's Rule of Five, 2,2,4,4-Tetramethyl-3-oxocyclobutyl 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 2,2,4,4-Tetramethyl-3-oxocyclobutyl methanesulfonate?
The CAS number of 2,2,4,4-Tetramethyl-3-oxocyclobutyl methanesulfonate is 500862-18-0.
What is the molecular formula of 2,2,4,4-Tetramethyl-3-oxocyclobutyl methanesulfonate?
The molecular formula of 2,2,4,4-Tetramethyl-3-oxocyclobutyl methanesulfonate is C9H16O4S.
What is the molecular weight of 2,2,4,4-Tetramethyl-3-oxocyclobutyl methanesulfonate?
The molecular weight of 2,2,4,4-Tetramethyl-3-oxocyclobutyl methanesulfonate is 220.08 g/mol.
Where can I buy 2,2,4,4-Tetramethyl-3-oxocyclobutyl methanesulfonate?
You can request a quote for 2,2,4,4-Tetramethyl-3-oxocyclobutyl methanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,4,4-Tetramethyl-3-oxocyclobutyl methanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2,2,4,4-Tetramethyl-3-oxocyclobutyl methanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.