2,2-Dimethyl-5-(methylsulfonyl)cyclopentanone
TL;DR: 2,2-Dimethyl-5-(methylsulfonyl)cyclopentanone (CAS 90113-76-1) is a chemical compound with molecular formula C8H14O3S and molecular weight 190.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethyl-5-methylsulfonylcyclopentan-1-one
Also Known As: 2,2-dimethyl-5-(methylsulfonyl)cyclopentanone, 2,2-dimethyl-5-methylsulfonylcyclopentan-1-one, 2,2-Dimethyl-5-methylsulfon-cyclopentanon, 5-(Methanesulfonyl)-2,2-dimethylcyclopentan-1-one
| Molecular Formula | C8H14O3S |
|---|---|
| Molecular Weight | 190.07 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 59.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 190.06636 |
| Heavy Atoms | 12 |
| Complexity | 295.0 |
Chemical Identifiers
| CAS Number | 90113-76-1 |
|---|---|
| SMILES | CC1(CCC(C1=O)S(=O)(=O)C)C |
| InChIKey | FCGVSGJMPAIUKM-UHFFFAOYSA-N |
Product Overview
2,2-Dimethyl-5-(methylsulfonyl)cyclopentanone (CAS 90113-76-1), with molecular formula C8H14O3S and molecular weight 190.07 g/mol. IUPAC: 2,2-dimethyl-5-methylsulfonylcyclopentan-1-one.
Chemical Property Profile of 2,2-Dimethyl-5-(methylsulfonyl)cyclopentanone
Property Insights of 2,2-Dimethyl-5-(methylsulfonyl)cyclopentanone
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-Dimethyl-5-(methylsulfonyl)cyclopentanone. With a topological polar surface area (TPSA) of 59.6 Ų, 2,2-Dimethyl-5-(methylsulfonyl)cyclopentanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Dimethyl-5-(methylsulfonyl)cyclopentanone has 0 hydrogen bond donor(s) and 3 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-Dimethyl-5-(methylsulfonyl)cyclopentanone?
The CAS number of 2,2-Dimethyl-5-(methylsulfonyl)cyclopentanone is 90113-76-1.
What is the molecular formula of 2,2-Dimethyl-5-(methylsulfonyl)cyclopentanone?
The molecular formula of 2,2-Dimethyl-5-(methylsulfonyl)cyclopentanone is C8H14O3S.
What is the molecular weight of 2,2-Dimethyl-5-(methylsulfonyl)cyclopentanone?
The molecular weight of 2,2-Dimethyl-5-(methylsulfonyl)cyclopentanone is 190.07 g/mol.
Where can I buy 2,2-Dimethyl-5-(methylsulfonyl)cyclopentanone?
You can request a quote for 2,2-Dimethyl-5-(methylsulfonyl)cyclopentanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Dimethyl-5-(methylsulfonyl)cyclopentanone?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Dimethyl-5-(methylsulfonyl)cyclopentanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.