4,5-Dimethyl-1,3,2-dioxathiolane 2-oxide
TL;DR: 4,5-Dimethyl-1,3,2-dioxathiolane 2-oxide (CAS 4440-90-8) is a chemical compound with molecular formula C4H8O3S and molecular weight 136.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-dimethyl-1,3,2-dioxathiolane 2-oxide
Also Known As: 4,5-Dimethyl-1,3,2-dioxathiolane 2-oxide, sym-Dimethylethylene sulfite, 2, cyclic sulfite, 2,3-Butanediol, cyclic sulfite, erythro-2,3-butanediyl sulfite
| Molecular Formula | C4H8O3S |
|---|---|
| Molecular Weight | 136.02 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 54.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 136.01941 |
| Heavy Atoms | 8 |
| Complexity | 102.0 |
Chemical Identifiers
| CAS Number | 4440-90-8 |
|---|---|
| SMILES | CC1C(OS(=O)O1)C |
| InChIKey | SAPINXZHMGNTEC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,5-Dimethyl-1,3,2-dioxathiolane 2-oxide (CAS 4440-90-8), with molecular formula C4H8O3S and molecular weight 136.02 g/mol. IUPAC: 4,5-dimethyl-1,3,2-dioxathiolane 2-oxide.
Chemical Property Profile of 4,5-Dimethyl-1,3,2-dioxathiolane 2-oxide
Property Insights of 4,5-Dimethyl-1,3,2-dioxathiolane 2-oxide
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5-Dimethyl-1,3,2-dioxathiolane 2-oxide. With a topological polar surface area (TPSA) of 54.7 Ų, 4,5-Dimethyl-1,3,2-dioxathiolane 2-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5-Dimethyl-1,3,2-dioxathiolane 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 4,5-Dimethyl-1,3,2-dioxathiolane 2-oxide?
The CAS number of 4,5-Dimethyl-1,3,2-dioxathiolane 2-oxide is 4440-90-8.
What is the molecular formula of 4,5-Dimethyl-1,3,2-dioxathiolane 2-oxide?
The molecular formula of 4,5-Dimethyl-1,3,2-dioxathiolane 2-oxide is C4H8O3S.
What is the molecular weight of 4,5-Dimethyl-1,3,2-dioxathiolane 2-oxide?
The molecular weight of 4,5-Dimethyl-1,3,2-dioxathiolane 2-oxide is 136.02 g/mol.
Where can I buy 4,5-Dimethyl-1,3,2-dioxathiolane 2-oxide?
You can request a quote for 4,5-Dimethyl-1,3,2-dioxathiolane 2-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-Dimethyl-1,3,2-dioxathiolane 2-oxide?
Yes, KEHONG BIO provides custom synthesis services for 4,5-Dimethyl-1,3,2-dioxathiolane 2-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.