3-Octoxy-2,3-dihydrothiophene 1,1-dioxide
TL;DR: 3-Octoxy-2,3-dihydrothiophene 1,1-dioxide (CAS 874468-21-0) is a chemical compound with molecular formula C12H22O3S and molecular weight 246.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-octoxy-2,3-dihydrothiophene 1,1-dioxide
Also Known As: 3-octoxy-2,3-dihydrothiophene 1,1-dioxide, 3-(Octyloxy)-2,3-dihydrothiophene 1,1-dioxide, 4-octyloxy-4,5-dihydrothiophene-1,1-dione, 3-(octyloxy)-2,3-dihydro-1lambda6-thiophene-1,1-dione, 1,1-dioxido-2,3-dihydro-3-thienyl octyl ether
| Molecular Formula | C12H22O3S |
|---|---|
| Molecular Weight | 246.13 g/mol |
| LogP | 2.6742 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 246.12897 |
| Heavy Atoms | 16 |
| Complexity | 306.22556 |
Chemical Identifiers
| CAS Number | 874468-21-0 |
|---|---|
| SMILES | CCCCCCCCOC1CS(=O)(=O)C=C1 |
Product Overview
3-Octoxy-2,3-dihydrothiophene 1,1-dioxide (CAS 874468-21-0), with molecular formula C12H22O3S and molecular weight 246.13 g/mol. IUPAC: 3-octoxy-2,3-dihydrothiophene 1,1-dioxide.
Chemical Property Profile of 3-Octoxy-2,3-dihydrothiophene 1,1-dioxide
Property Insights of 3-Octoxy-2,3-dihydrothiophene 1,1-dioxide
The XLogP value of 2.6742 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Octoxy-2,3-dihydrothiophene 1,1-dioxide. With a topological polar surface area (TPSA) of 43.37 Ų, 3-Octoxy-2,3-dihydrothiophene 1,1-dioxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Octoxy-2,3-dihydrothiophene 1,1-dioxide 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 3-Octoxy-2,3-dihydrothiophene 1,1-dioxide?
The CAS number of 3-Octoxy-2,3-dihydrothiophene 1,1-dioxide is 874468-21-0.
What is the molecular formula of 3-Octoxy-2,3-dihydrothiophene 1,1-dioxide?
The molecular formula of 3-Octoxy-2,3-dihydrothiophene 1,1-dioxide is C12H22O3S.
What is the molecular weight of 3-Octoxy-2,3-dihydrothiophene 1,1-dioxide?
The molecular weight of 3-Octoxy-2,3-dihydrothiophene 1,1-dioxide is 246.13 g/mol.
Where can I buy 3-Octoxy-2,3-dihydrothiophene 1,1-dioxide?
You can request a quote for 3-Octoxy-2,3-dihydrothiophene 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 3-Octoxy-2,3-dihydrothiophene 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 3-Octoxy-2,3-dihydrothiophene 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.