1,3-Dithiane, 5-(4-methoxyphenyl)-, 1,1,3,3-tetraoxide
TL;DR: 1,3-Dithiane, 5-(4-methoxyphenyl)-, 1,1,3,3-tetraoxide (CAS 111012-67-0) is a chemical compound with molecular formula C11H14O5S2 and molecular weight 290.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-methoxyphenyl)-1,3-dithiane 1,1,3,3-tetraoxide
Also Known As: ChemDiv1_020443, 1,3-Dithiane, 5-(4-methoxyphenyl)-, 1,1,3,3-tetraoxide, 5-(4-methoxyphenyl)-1,3-dithiane 1,1,3,3-tetraoxide, 5-(p-methoxyphenyl)-1,3-dithiane 1,1,3,3-tetroxide, F0264-0056
| Molecular Formula | C11H14O5S2 |
|---|---|
| Molecular Weight | 290.03 g/mol |
| LogP | 0.5795 |
| Topological Polar Surface Area | 77.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 290.02826 |
| Heavy Atoms | 18 |
| Complexity | 594.51605 |
Chemical Identifiers
| CAS Number | 111012-67-0 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2CS(=O)(=O)CS(=O)(=O)C2 |
Product Overview
1,3-Dithiane, 5-(4-methoxyphenyl)-, 1,1,3,3-tetraoxide (CAS 111012-67-0), with molecular formula C11H14O5S2 and molecular weight 290.03 g/mol. IUPAC: 5-(4-methoxyphenyl)-1,3-dithiane 1,1,3,3-tetraoxide.
Chemical Property Profile of 1,3-Dithiane, 5-(4-methoxyphenyl)-, 1,1,3,3-tetraoxide
Property Insights of 1,3-Dithiane, 5-(4-methoxyphenyl)-, 1,1,3,3-tetraoxide
The XLogP value of 0.5795 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dithiane, 5-(4-methoxyphenyl)-, 1,1,3,3-tetraoxide. The TPSA of 77.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Dithiane, 5-(4-methoxyphenyl)-, 1,1,3,3-tetraoxide. Following Lipinski's Rule of Five, 1,3-Dithiane, 5-(4-methoxyphenyl)-, 1,1,3,3-tetraoxide has 0 hydrogen bond donor(s) and 5 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 1,3-Dithiane, 5-(4-methoxyphenyl)-, 1,1,3,3-tetraoxide?
The CAS number of 1,3-Dithiane, 5-(4-methoxyphenyl)-, 1,1,3,3-tetraoxide is 111012-67-0.
What is the molecular formula of 1,3-Dithiane, 5-(4-methoxyphenyl)-, 1,1,3,3-tetraoxide?
The molecular formula of 1,3-Dithiane, 5-(4-methoxyphenyl)-, 1,1,3,3-tetraoxide is C11H14O5S2.
What is the molecular weight of 1,3-Dithiane, 5-(4-methoxyphenyl)-, 1,1,3,3-tetraoxide?
The molecular weight of 1,3-Dithiane, 5-(4-methoxyphenyl)-, 1,1,3,3-tetraoxide is 290.03 g/mol.
Where can I buy 1,3-Dithiane, 5-(4-methoxyphenyl)-, 1,1,3,3-tetraoxide?
You can request a quote for 1,3-Dithiane, 5-(4-methoxyphenyl)-, 1,1,3,3-tetraoxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dithiane, 5-(4-methoxyphenyl)-, 1,1,3,3-tetraoxide?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dithiane, 5-(4-methoxyphenyl)-, 1,1,3,3-tetraoxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.