4,5-Dimethyl-1,3,2-dioxathiolane 2,2-dioxide
TL;DR: 4,5-Dimethyl-1,3,2-dioxathiolane 2,2-dioxide (CAS 4440-89-5) is a chemical compound with molecular formula C4H8O4S and molecular weight 152.01 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 2,2-dioxide
Also Known As: 4,5-dimethyl-1,3,2-dioxathiolane 2,2-dioxide, starbld0002112, 2,3-Butanediol Cyclic Sulfate, 4,5-Dimethyl-1,3,2-dioxathiolane2,2-dioxide, 4,5-Dimethyl-1,3,2lambda~6~-dioxathiolane-2,2-dione
| Molecular Formula | C4H8O4S |
|---|---|
| Molecular Weight | 152.01 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 61.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 152.01433 |
| Heavy Atoms | 9 |
| Complexity | 173.0 |
Chemical Identifiers
| CAS Number | 4440-89-5 |
|---|---|
| SMILES | CC1C(OS(=O)(=O)O1)C |
| InChIKey | POVNYOLUWDFQOZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,5-Dimethyl-1,3,2-dioxathiolane 2,2-dioxide (CAS 4440-89-5), with molecular formula C4H8O4S and molecular weight 152.01 g/mol. IUPAC: 4,5-dimethyl-1,3,2-dioxathiolane 2,2-dioxide.
Chemical Property Profile of 4,5-Dimethyl-1,3,2-dioxathiolane 2,2-dioxide
Property Insights of 4,5-Dimethyl-1,3,2-dioxathiolane 2,2-dioxide
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5-Dimethyl-1,3,2-dioxathiolane 2,2-dioxide. The TPSA of 61.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,5-Dimethyl-1,3,2-dioxathiolane 2,2-dioxide. Following Lipinski's Rule of Five, 4,5-Dimethyl-1,3,2-dioxathiolane 2,2-dioxide 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 2,2-dioxide?
The CAS number of 4,5-Dimethyl-1,3,2-dioxathiolane 2,2-dioxide is 4440-89-5.
What is the molecular formula of 4,5-Dimethyl-1,3,2-dioxathiolane 2,2-dioxide?
The molecular formula of 4,5-Dimethyl-1,3,2-dioxathiolane 2,2-dioxide is C4H8O4S.
What is the molecular weight of 4,5-Dimethyl-1,3,2-dioxathiolane 2,2-dioxide?
The molecular weight of 4,5-Dimethyl-1,3,2-dioxathiolane 2,2-dioxide is 152.01 g/mol.
Where can I buy 4,5-Dimethyl-1,3,2-dioxathiolane 2,2-dioxide?
You can request a quote for 4,5-Dimethyl-1,3,2-dioxathiolane 2,2-dioxide 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 2,2-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 4,5-Dimethyl-1,3,2-dioxathiolane 2,2-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.