1,3,2-Dioxathiane, 4,4-dimethyl-, 2-oxide
TL;DR: 1,3,2-Dioxathiane, 4,4-dimethyl-, 2-oxide (CAS 1003-85-6) is a chemical compound with molecular formula C5H10O3S and molecular weight 150.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4-dimethyl-1,3,2-dioxathiane 2-oxide
Also Known As: 4,4-dimethyl-1,3,2-dioxathiane 2-oxide, 2,2-Dimethyl-1,3-propanediol cyclic sulfite, 4,4-dimethyl-2-oxo-1,3,2-dioxathiane, 1,3,2-DIOXATHIANE, 4,4-DIMETHYL-, 2-OXIDE, 1,3-Propanediol, 2,2-dimethyl-, cyclic sulfite
| Molecular Formula | C5H10O3S |
|---|---|
| Molecular Weight | 150.04 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 54.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 150.03506 |
| Heavy Atoms | 9 |
| Complexity | 132.0 |
Chemical Identifiers
| CAS Number | 1003-85-6 |
|---|---|
| SMILES | CC1(CCOS(=O)O1)C |
| InChIKey | ZCWRAERLSMTDHH-UHFFFAOYSA-N |
Product Overview
1,3,2-Dioxathiane, 4,4-dimethyl-, 2-oxide (CAS 1003-85-6), with molecular formula C5H10O3S and molecular weight 150.04 g/mol. IUPAC: 4,4-dimethyl-1,3,2-dioxathiane 2-oxide.
Chemical Property Profile of 1,3,2-Dioxathiane, 4,4-dimethyl-, 2-oxide
Property Insights of 1,3,2-Dioxathiane, 4,4-dimethyl-, 2-oxide
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,2-Dioxathiane, 4,4-dimethyl-, 2-oxide. With a topological polar surface area (TPSA) of 54.7 Ų, 1,3,2-Dioxathiane, 4,4-dimethyl-, 2-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3,2-Dioxathiane, 4,4-dimethyl-, 2-oxide 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 1,3,2-Dioxathiane, 4,4-dimethyl-, 2-oxide?
The CAS number of 1,3,2-Dioxathiane, 4,4-dimethyl-, 2-oxide is 1003-85-6.
What is the molecular formula of 1,3,2-Dioxathiane, 4,4-dimethyl-, 2-oxide?
The molecular formula of 1,3,2-Dioxathiane, 4,4-dimethyl-, 2-oxide is C5H10O3S.
What is the molecular weight of 1,3,2-Dioxathiane, 4,4-dimethyl-, 2-oxide?
The molecular weight of 1,3,2-Dioxathiane, 4,4-dimethyl-, 2-oxide is 150.04 g/mol.
Where can I buy 1,3,2-Dioxathiane, 4,4-dimethyl-, 2-oxide?
You can request a quote for 1,3,2-Dioxathiane, 4,4-dimethyl-, 2-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,2-Dioxathiane, 4,4-dimethyl-, 2-oxide?
Yes, KEHONG BIO provides custom synthesis services for 1,3,2-Dioxathiane, 4,4-dimethyl-, 2-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.