5-(Acetyloxy)-1-oxido-1,2-dithian-4-yl acetate
TL;DR: 5-(Acetyloxy)-1-oxido-1,2-dithian-4-yl acetate (CAS 349100-17-0) is a chemical compound with molecular formula C8H12O5S2 and molecular weight 252.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-acetyloxy-1-oxodithian-4-yl) acetate
Also Known As: 5-(Acetyloxy)-1-oxido-1,2-dithian-4-yl acetate, (5-acetyloxy-1-oxodithian-4-yl) acetate, (5-acetoxy-1-oxo-dithian-4-yl) acetate, 1-Oxo-1,2lambda~4~-dithiane-4,5-diyl diacetate, 1-Oxo-1lambda~4~,2-dithiane-4,5-diyl diacetate
| Molecular Formula | C8H12O5S2 |
|---|---|
| Molecular Weight | 252.01 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 252.01262 |
| Heavy Atoms | 15 |
| Complexity | 291.0 |
Chemical Identifiers
| CAS Number | 349100-17-0 |
|---|---|
| SMILES | CC(=O)OC1CSS(=O)CC1OC(=O)C |
| InChIKey | SNRUAHIIPXSILQ-UHFFFAOYSA-N |
Product Overview
5-(Acetyloxy)-1-oxido-1,2-dithian-4-yl acetate (CAS 349100-17-0), with molecular formula C8H12O5S2 and molecular weight 252.01 g/mol. IUPAC: (5-acetyloxy-1-oxodithian-4-yl) acetate.
Chemical Property Profile of 5-(Acetyloxy)-1-oxido-1,2-dithian-4-yl acetate
Property Insights of 5-(Acetyloxy)-1-oxido-1,2-dithian-4-yl acetate
The XLogP value of -0.5 indicates that 5-(Acetyloxy)-1-oxido-1,2-dithian-4-yl acetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(Acetyloxy)-1-oxido-1,2-dithian-4-yl acetate. Following Lipinski's Rule of Five, 5-(Acetyloxy)-1-oxido-1,2-dithian-4-yl acetate has 0 hydrogen bond donor(s) and 7 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 5-(Acetyloxy)-1-oxido-1,2-dithian-4-yl acetate?
The CAS number of 5-(Acetyloxy)-1-oxido-1,2-dithian-4-yl acetate is 349100-17-0.
What is the molecular formula of 5-(Acetyloxy)-1-oxido-1,2-dithian-4-yl acetate?
The molecular formula of 5-(Acetyloxy)-1-oxido-1,2-dithian-4-yl acetate is C8H12O5S2.
What is the molecular weight of 5-(Acetyloxy)-1-oxido-1,2-dithian-4-yl acetate?
The molecular weight of 5-(Acetyloxy)-1-oxido-1,2-dithian-4-yl acetate is 252.01 g/mol.
Where can I buy 5-(Acetyloxy)-1-oxido-1,2-dithian-4-yl acetate?
You can request a quote for 5-(Acetyloxy)-1-oxido-1,2-dithian-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 5-(Acetyloxy)-1-oxido-1,2-dithian-4-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 5-(Acetyloxy)-1-oxido-1,2-dithian-4-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.