![1-(Benzenesulfinyl)-2-oxaspiro[2.5]octane structure](/static/products/2184/21849-30-9.webp)
1-(Benzenesulfinyl)-2-oxaspiro[2.5]octane
TL;DR: 1-(Benzenesulfinyl)-2-oxaspiro[2.5]octane (CAS 21849-30-9) is a chemical compound with molecular formula C13H16O2S and molecular weight 236.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(benzenesulfinyl)-1-oxaspiro[2.5]octane
Also Known As: 1-(benzenesulfinyl)-2-oxaspiro[2.5]octane, 2-(benzenesulfinyl)-1-oxaspiro[2.5]octane, 2-(phenylsulfinyl)-1-oxaspiro[2.5]octane
| Molecular Formula | C13H16O2S |
|---|---|
| Molecular Weight | 236.09 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 48.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 236.0871 |
| Heavy Atoms | 16 |
| Complexity | 278.0 |
Chemical Identifiers
| CAS Number | 21849-30-9 |
|---|---|
| SMILES | C1CCC2(CC1)C(O2)S(=O)C3=CC=CC=C3 |
| InChIKey | UDXFWGDPJGWYNJ-UHFFFAOYSA-N |
Product Overview
1-(Benzenesulfinyl)-2-oxaspiro[2.5]octane (CAS 21849-30-9), with molecular formula C13H16O2S and molecular weight 236.09 g/mol. IUPAC: 2-(benzenesulfinyl)-1-oxaspiro[2.5]octane.
Chemical Property Profile of 1-(Benzenesulfinyl)-2-oxaspiro[2.5]octane
Property Insights of 1-(Benzenesulfinyl)-2-oxaspiro[2.5]octane
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Benzenesulfinyl)-2-oxaspiro[2.5]octane. With a topological polar surface area (TPSA) of 48.8 Ų, 1-(Benzenesulfinyl)-2-oxaspiro[2.5]octane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Benzenesulfinyl)-2-oxaspiro[2.5]octane 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 1-(Benzenesulfinyl)-2-oxaspiro[2.5]octane?
The CAS number of 1-(Benzenesulfinyl)-2-oxaspiro[2.5]octane is 21849-30-9.
What is the molecular formula of 1-(Benzenesulfinyl)-2-oxaspiro[2.5]octane?
The molecular formula of 1-(Benzenesulfinyl)-2-oxaspiro[2.5]octane is C13H16O2S.
What is the molecular weight of 1-(Benzenesulfinyl)-2-oxaspiro[2.5]octane?
The molecular weight of 1-(Benzenesulfinyl)-2-oxaspiro[2.5]octane is 236.09 g/mol.
Where can I buy 1-(Benzenesulfinyl)-2-oxaspiro[2.5]octane?
You can request a quote for 1-(Benzenesulfinyl)-2-oxaspiro[2.5]octane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Benzenesulfinyl)-2-oxaspiro[2.5]octane?
Yes, KEHONG BIO provides custom synthesis services for 1-(Benzenesulfinyl)-2-oxaspiro[2.5]octane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.