6-(Acetyloxy)-2-oxotetrahydrothieno(3,4-d)(1,3)dioxol-4-yl acetate
TL;DR: 6-(Acetyloxy)-2-oxotetrahydrothieno(3,4-d)(1,3)dioxol-4-yl acetate (CAS 62729-50-4) is a chemical compound with molecular formula C9H10O7S and molecular weight 262.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-acetyloxy-2-oxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]dioxol-6-yl) acetate
Also Known As: 6-(Acetyloxy)-2-oxotetrahydrothieno(3,4-d)(1,3)dioxol-4-yl acetate, 6-(Acetyloxy)-2-oxotetrahydrothieno[3,4-d][1,3]dioxol-4-yl acetate, (4-acetyloxy-2-oxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]dioxol-6-yl) acetate, 2-Oxotetrahydro-2H-thieno[3,4-d][1,3]dioxole-4,6-diyl diacetate, (4-acetoxy-2-oxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]dioxol-6-yl) acetate
| Molecular Formula | C9H10O7S |
|---|---|
| Molecular Weight | 262.01 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 262.0147 |
| Heavy Atoms | 17 |
| Complexity | 336.0 |
Chemical Identifiers
| CAS Number | 62729-50-4 |
|---|---|
| SMILES | CC(=O)OC1C2C(C(S1)OC(=O)C)OC(=O)O2 |
| InChIKey | KLLNIGSJTTUBHJ-UHFFFAOYSA-N |
Product Overview
6-(Acetyloxy)-2-oxotetrahydrothieno(3,4-d)(1,3)dioxol-4-yl acetate (CAS 62729-50-4), with molecular formula C9H10O7S and molecular weight 262.01 g/mol. IUPAC: (4-acetyloxy-2-oxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]dioxol-6-yl) acetate.
Chemical Property Profile of 6-(Acetyloxy)-2-oxotetrahydrothieno(3,4-d)(1,3)dioxol-4-yl acetate
Property Insights of 6-(Acetyloxy)-2-oxotetrahydrothieno(3,4-d)(1,3)dioxol-4-yl acetate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(Acetyloxy)-2-oxotetrahydrothieno(3,4-d)(1,3)dioxol-4-yl acetate. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(Acetyloxy)-2-oxotetrahydrothieno(3,4-d)(1,3)dioxol-4-yl acetate. Following Lipinski's Rule of Five, 6-(Acetyloxy)-2-oxotetrahydrothieno(3,4-d)(1,3)dioxol-4-yl acetate has 0 hydrogen bond donor(s) and 8 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 6-(Acetyloxy)-2-oxotetrahydrothieno(3,4-d)(1,3)dioxol-4-yl acetate?
The CAS number of 6-(Acetyloxy)-2-oxotetrahydrothieno(3,4-d)(1,3)dioxol-4-yl acetate is 62729-50-4.
What is the molecular formula of 6-(Acetyloxy)-2-oxotetrahydrothieno(3,4-d)(1,3)dioxol-4-yl acetate?
The molecular formula of 6-(Acetyloxy)-2-oxotetrahydrothieno(3,4-d)(1,3)dioxol-4-yl acetate is C9H10O7S.
What is the molecular weight of 6-(Acetyloxy)-2-oxotetrahydrothieno(3,4-d)(1,3)dioxol-4-yl acetate?
The molecular weight of 6-(Acetyloxy)-2-oxotetrahydrothieno(3,4-d)(1,3)dioxol-4-yl acetate is 262.01 g/mol.
Where can I buy 6-(Acetyloxy)-2-oxotetrahydrothieno(3,4-d)(1,3)dioxol-4-yl acetate?
You can request a quote for 6-(Acetyloxy)-2-oxotetrahydrothieno(3,4-d)(1,3)dioxol-4-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(Acetyloxy)-2-oxotetrahydrothieno(3,4-d)(1,3)dioxol-4-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 6-(Acetyloxy)-2-oxotetrahydrothieno(3,4-d)(1,3)dioxol-4-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.