Dithiipin-1,1,4,4-tetroxide analogue 7
TL;DR: Dithiipin-1,1,4,4-tetroxide analogue 7 (CAS 289031-02-3) is a chemical compound with molecular formula C12H14O4S2 and molecular weight 286.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methylphenyl)-6,7-dihydro-5H-1,4-dithiepine 1,1,4,4-tetraoxide
Also Known As: dithiipin-1,1,4,4-tetroxide analogue 7, 2-(4-methylphenyl)-6,7-dihydro-5H-1,4-dithiepine 1,1,4,4-tetraoxide, 2,3-dihydro-2-(4-methylphenyl)-1,4-ndithiepie-1,1,4,4-tetroxide
| Molecular Formula | C12H14O4S2 |
|---|---|
| Molecular Weight | 286.03 g/mol |
| LogP | 1.52672 |
| Topological Polar Surface Area | 68.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 286.03336 |
| Heavy Atoms | 18 |
| Complexity | 680.0979 |
Chemical Identifiers
| CAS Number | 289031-02-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=CS(=O)(=O)CCCS2(=O)=O |
Product Overview
Dithiipin-1,1,4,4-tetroxide analogue 7 (CAS 289031-02-3), with molecular formula C12H14O4S2 and molecular weight 286.03 g/mol. IUPAC: 2-(4-methylphenyl)-6,7-dihydro-5H-1,4-dithiepine 1,1,4,4-tetraoxide.
Chemical Property Profile of Dithiipin-1,1,4,4-tetroxide analogue 7
Property Insights of Dithiipin-1,1,4,4-tetroxide analogue 7
The XLogP value of 1.52672 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dithiipin-1,1,4,4-tetroxide analogue 7. The TPSA of 68.28 Ų falls within the moderate polarity range, balancing permeability and solubility for Dithiipin-1,1,4,4-tetroxide analogue 7. Following Lipinski's Rule of Five, Dithiipin-1,1,4,4-tetroxide analogue 7 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 Dithiipin-1,1,4,4-tetroxide analogue 7?
The CAS number of Dithiipin-1,1,4,4-tetroxide analogue 7 is 289031-02-3.
What is the molecular formula of Dithiipin-1,1,4,4-tetroxide analogue 7?
The molecular formula of Dithiipin-1,1,4,4-tetroxide analogue 7 is C12H14O4S2.
What is the molecular weight of Dithiipin-1,1,4,4-tetroxide analogue 7?
The molecular weight of Dithiipin-1,1,4,4-tetroxide analogue 7 is 286.03 g/mol.
Where can I buy Dithiipin-1,1,4,4-tetroxide analogue 7?
You can request a quote for Dithiipin-1,1,4,4-tetroxide analogue 7 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dithiipin-1,1,4,4-tetroxide analogue 7?
Yes, KEHONG BIO provides custom synthesis services for Dithiipin-1,1,4,4-tetroxide analogue 7 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.