![[2,2-dimethyl-5-(2-sulfinyl-1,3-dithiolan-4-yl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] acetate structure](/static/products/4288/42887-26-3.webp)
[2,2-dimethyl-5-(2-sulfinyl-1,3-dithiolan-4-yl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] acetate
TL;DR: [2,2-dimethyl-5-(2-sulfinyl-1,3-dithiolan-4-yl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] acetate (CAS 42887-26-3) is a chemical compound with molecular formula C12H16O6S3 and molecular weight 352.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2,2-dimethyl-5-(2-sulfinyl-1,3-dithiolan-4-yl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] acetate
Also Known As: [2,2-dimethyl-5-(2-sulfinyl-1,3-dithiolan-4-yl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] acetate|2,2-dimethyl-5-(2-sulfinyl-1,3-dithiolan-4-yl)tetrahydrofuro[2,3-d][1,3]dioxol-6-yl acetate(non-preferred name)|2,2-Dimethyl-5-[2-(oxo-lambda~4~-sulfanylidene)-1,3-dithiolan-4-yl]tetrahydro-2H-furo[2,3-d][1,3]dioxol-6-yl acetate
| Molecular Formula | C12H16O6S3 |
|---|---|
| Molecular Weight | 352.01 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 123.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 352.0109 |
| Heavy Atoms | 21 |
| Complexity | 503.0 |
Chemical Identifiers
| CAS Number | 42887-26-3 |
|---|---|
| SMILES | CC(=O)OC1C(OC2C1OC(O2)(C)C)C3CSC(=S=O)S3 |
| InChIKey | WLQAQNDSGWDGAP-UHFFFAOYSA-N |
Product Overview
[2,2-dimethyl-5-(2-sulfinyl-1,3-dithiolan-4-yl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] acetate (CAS 42887-26-3), with molecular formula C12H16O6S3 and molecular weight 352.01 g/mol. IUPAC: [2,2-dimethyl-5-(2-sulfinyl-1,3-dithiolan-4-yl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] acetate.
Chemical Property Profile of [2,2-dimethyl-5-(2-sulfinyl-1,3-dithiolan-4-yl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] acetate
Property Insights of [2,2-dimethyl-5-(2-sulfinyl-1,3-dithiolan-4-yl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] acetate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [2,2-dimethyl-5-(2-sulfinyl-1,3-dithiolan-4-yl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] acetate. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for [2,2-dimethyl-5-(2-sulfinyl-1,3-dithiolan-4-yl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] acetate. Following Lipinski's Rule of Five, [2,2-dimethyl-5-(2-sulfinyl-1,3-dithiolan-4-yl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] acetate has 0 hydrogen bond donor(s) and 9 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 [2,2-dimethyl-5-(2-sulfinyl-1,3-dithiolan-4-yl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] acetate?
The CAS number of [2,2-dimethyl-5-(2-sulfinyl-1,3-dithiolan-4-yl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] acetate is 42887-26-3.
What is the molecular formula of [2,2-dimethyl-5-(2-sulfinyl-1,3-dithiolan-4-yl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] acetate?
The molecular formula of [2,2-dimethyl-5-(2-sulfinyl-1,3-dithiolan-4-yl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] acetate is C12H16O6S3.
What is the molecular weight of [2,2-dimethyl-5-(2-sulfinyl-1,3-dithiolan-4-yl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] acetate?
The molecular weight of [2,2-dimethyl-5-(2-sulfinyl-1,3-dithiolan-4-yl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] acetate is 352.01 g/mol.
Where can I buy [2,2-dimethyl-5-(2-sulfinyl-1,3-dithiolan-4-yl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] acetate?
You can request a quote for [2,2-dimethyl-5-(2-sulfinyl-1,3-dithiolan-4-yl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2,2-dimethyl-5-(2-sulfinyl-1,3-dithiolan-4-yl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] acetate?
Yes, KEHONG BIO provides custom synthesis services for [2,2-dimethyl-5-(2-sulfinyl-1,3-dithiolan-4-yl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.