(2-Acetyloxy-3-acetylsulfanylpropyl) acetate
TL;DR: (2-Acetyloxy-3-acetylsulfanylpropyl) acetate (CAS 93994-76-4) is a chemical compound with molecular formula C9H14O5S and molecular weight 234.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-acetyloxy-3-acetylsulfanylpropyl) acetate
Also Known As: 1,2-diacetoxy-3-acetylsulfanyl-propane, 3-(acetylsulfanyl)propane-1,2-diyl diacetate, (2-acetyloxy-3-acetylsulfanylpropyl) acetate
| Molecular Formula | C9H14O5S |
|---|---|
| Molecular Weight | 234.06 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 95.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 234.0562 |
| Heavy Atoms | 15 |
| Complexity | 251.0 |
Chemical Identifiers
| CAS Number | 93994-76-4 |
|---|---|
| SMILES | CC(=O)OCC(CSC(=O)C)OC(=O)C |
| InChIKey | AYIPZDFBNMDHIZ-UHFFFAOYSA-N |
Product Overview
(2-Acetyloxy-3-acetylsulfanylpropyl) acetate (CAS 93994-76-4), with molecular formula C9H14O5S and molecular weight 234.06 g/mol. IUPAC: (2-acetyloxy-3-acetylsulfanylpropyl) acetate.
Chemical Property Profile of (2-Acetyloxy-3-acetylsulfanylpropyl) acetate
Property Insights of (2-Acetyloxy-3-acetylsulfanylpropyl) acetate
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-Acetyloxy-3-acetylsulfanylpropyl) acetate. The TPSA of 95.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (2-Acetyloxy-3-acetylsulfanylpropyl) acetate. Following Lipinski's Rule of Five, (2-Acetyloxy-3-acetylsulfanylpropyl) acetate has 0 hydrogen bond donor(s) and 6 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-Acetyloxy-3-acetylsulfanylpropyl) acetate?
The CAS number of (2-Acetyloxy-3-acetylsulfanylpropyl) acetate is 93994-76-4.
What is the molecular formula of (2-Acetyloxy-3-acetylsulfanylpropyl) acetate?
The molecular formula of (2-Acetyloxy-3-acetylsulfanylpropyl) acetate is C9H14O5S.
What is the molecular weight of (2-Acetyloxy-3-acetylsulfanylpropyl) acetate?
The molecular weight of (2-Acetyloxy-3-acetylsulfanylpropyl) acetate is 234.06 g/mol.
Where can I buy (2-Acetyloxy-3-acetylsulfanylpropyl) acetate?
You can request a quote for (2-Acetyloxy-3-acetylsulfanylpropyl) acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-Acetyloxy-3-acetylsulfanylpropyl) acetate?
Yes, KEHONG BIO provides custom synthesis services for (2-Acetyloxy-3-acetylsulfanylpropyl) acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.