1,1-Dioxido-4,5-dihydrothiophen-3-yl octyl sulfone
TL;DR: 1,1-Dioxido-4,5-dihydrothiophen-3-yl octyl sulfone (CAS 82813-71-6) is a chemical compound with molecular formula C12H22O4S2 and molecular weight 294.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-octylsulfonyl-2,3-dihydrothiophene 1,1-dioxide
Also Known As: 3-octylsulfonyl-4,5-dihydrothiophene 1,1-dioxide, 4-octylsulfonyl-2,3-dihydrothiophene 1,1-dioxide, 1,1-dioxido-4,5-dihydrothiophen-3-yl octyl sulfone, 4-(octylsulfonyl)-2,3-dihydrothiophene 1,1-dioxide
| Molecular Formula | C12H22O4S2 |
|---|---|
| Molecular Weight | 294.10 g/mol |
| LogP | 2.4216 |
| Topological Polar Surface Area | 68.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 294.09595 |
| Heavy Atoms | 18 |
| Complexity | 486.17044 |
Chemical Identifiers
| CAS Number | 82813-71-6 |
|---|---|
| SMILES | CCCCCCCCS(=O)(=O)C1=CS(=O)(=O)CC1 |
Product Overview
1,1-Dioxido-4,5-dihydrothiophen-3-yl octyl sulfone (CAS 82813-71-6), with molecular formula C12H22O4S2 and molecular weight 294.10 g/mol. IUPAC: 4-octylsulfonyl-2,3-dihydrothiophene 1,1-dioxide.
Chemical Property Profile of 1,1-Dioxido-4,5-dihydrothiophen-3-yl octyl sulfone
Property Insights of 1,1-Dioxido-4,5-dihydrothiophen-3-yl octyl sulfone
The XLogP value of 2.4216 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1-Dioxido-4,5-dihydrothiophen-3-yl octyl sulfone. The TPSA of 68.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1-Dioxido-4,5-dihydrothiophen-3-yl octyl sulfone. Following Lipinski's Rule of Five, 1,1-Dioxido-4,5-dihydrothiophen-3-yl octyl sulfone 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 1,1-Dioxido-4,5-dihydrothiophen-3-yl octyl sulfone?
The CAS number of 1,1-Dioxido-4,5-dihydrothiophen-3-yl octyl sulfone is 82813-71-6.
What is the molecular formula of 1,1-Dioxido-4,5-dihydrothiophen-3-yl octyl sulfone?
The molecular formula of 1,1-Dioxido-4,5-dihydrothiophen-3-yl octyl sulfone is C12H22O4S2.
What is the molecular weight of 1,1-Dioxido-4,5-dihydrothiophen-3-yl octyl sulfone?
The molecular weight of 1,1-Dioxido-4,5-dihydrothiophen-3-yl octyl sulfone is 294.10 g/mol.
Where can I buy 1,1-Dioxido-4,5-dihydrothiophen-3-yl octyl sulfone?
You can request a quote for 1,1-Dioxido-4,5-dihydrothiophen-3-yl octyl sulfone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1-Dioxido-4,5-dihydrothiophen-3-yl octyl sulfone?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Dioxido-4,5-dihydrothiophen-3-yl octyl sulfone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.