4-(Octylsulfinyl)tetrahydrothiophene-3-ol 1,1-dioxide
TL;DR: 4-(Octylsulfinyl)tetrahydrothiophene-3-ol 1,1-dioxide (CAS 459791-34-5) is a chemical compound with molecular formula C12H24O4S2 and molecular weight 296.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-octylsulfinyl-1,1-dioxothiolan-3-ol
Also Known As: 4-octylsulfinyl-1,1-dioxothiolan-3-ol, 4-octylsulfinyl-1,1-dioxo-thiolan-3-ol, 4-(octylsulfinyl)tetrahydrothiophene-3-ol 1,1-dioxide, 3-hydroxy-4-(octylsulfinyl)tetrahydrothiophene 1,1-dioxide, 4-(Octane-1-sulfinyl)-1,1-dioxo-tetrahydro-1lambda*6*-thiophen-3-ol
| Molecular Formula | C12H24O4S2 |
|---|---|
| Molecular Weight | 296.11 g/mol |
| LogP | 1.2535 |
| Topological Polar Surface Area | 71.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 296.1116 |
| Heavy Atoms | 18 |
| Complexity | 364.2737 |
Chemical Identifiers
| CAS Number | 459791-34-5 |
|---|---|
| SMILES | CCCCCCCCS(=O)C1CS(=O)(=O)CC1O |
Product Overview
4-(Octylsulfinyl)tetrahydrothiophene-3-ol 1,1-dioxide (CAS 459791-34-5), with molecular formula C12H24O4S2 and molecular weight 296.11 g/mol. IUPAC: 4-octylsulfinyl-1,1-dioxothiolan-3-ol.
Chemical Property Profile of 4-(Octylsulfinyl)tetrahydrothiophene-3-ol 1,1-dioxide
Property Insights of 4-(Octylsulfinyl)tetrahydrothiophene-3-ol 1,1-dioxide
The XLogP value of 1.2535 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Octylsulfinyl)tetrahydrothiophene-3-ol 1,1-dioxide. The TPSA of 71.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Octylsulfinyl)tetrahydrothiophene-3-ol 1,1-dioxide. Following Lipinski's Rule of Five, 4-(Octylsulfinyl)tetrahydrothiophene-3-ol 1,1-dioxide has 1 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 4-(Octylsulfinyl)tetrahydrothiophene-3-ol 1,1-dioxide?
The CAS number of 4-(Octylsulfinyl)tetrahydrothiophene-3-ol 1,1-dioxide is 459791-34-5.
What is the molecular formula of 4-(Octylsulfinyl)tetrahydrothiophene-3-ol 1,1-dioxide?
The molecular formula of 4-(Octylsulfinyl)tetrahydrothiophene-3-ol 1,1-dioxide is C12H24O4S2.
What is the molecular weight of 4-(Octylsulfinyl)tetrahydrothiophene-3-ol 1,1-dioxide?
The molecular weight of 4-(Octylsulfinyl)tetrahydrothiophene-3-ol 1,1-dioxide is 296.11 g/mol.
Where can I buy 4-(Octylsulfinyl)tetrahydrothiophene-3-ol 1,1-dioxide?
You can request a quote for 4-(Octylsulfinyl)tetrahydrothiophene-3-ol 1,1-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Octylsulfinyl)tetrahydrothiophene-3-ol 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 4-(Octylsulfinyl)tetrahydrothiophene-3-ol 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.