7-(Acetyloxy)-2-oxo-1,3-benzodithiol-4-yl acetate
TL;DR: 7-(Acetyloxy)-2-oxo-1,3-benzodithiol-4-yl acetate (CAS 200576-02-9) is a chemical compound with molecular formula C11H8O5S2 and molecular weight 283.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-acetyloxy-2-oxo-1,3-benzodithiol-7-yl) acetate
Also Known As: 4,7-diacetyloxy-1,3-benzodithiole-2-one, (4-acetyloxy-2-oxo-1,3-benzodithiol-7-yl) acetate, 7-(acetyloxy)-2-oxo-1,3-benzodithiol-4-yl acetate, Diacetic acid 2-oxo-1,3-benzodithiol-4,7-diyl ester, 7-(acetyloxy)-2-oxo-2H-1,3-benzodithiol-4-yl acetate
| Molecular Formula | C11H8O5S2 |
|---|---|
| Molecular Weight | 283.98 g/mol |
| LogP | 2.1736 |
| Topological Polar Surface Area | 69.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 283.98132 |
| Heavy Atoms | 18 |
| Complexity | 626.2887 |
Chemical Identifiers
| CAS Number | 200576-02-9 |
|---|---|
| SMILES | CC(=O)OC1=C2C(=C(C=C1)OC(=O)C)SC(=O)S2 |
Product Overview
7-(Acetyloxy)-2-oxo-1,3-benzodithiol-4-yl acetate (CAS 200576-02-9), with molecular formula C11H8O5S2 and molecular weight 283.98 g/mol. IUPAC: (4-acetyloxy-2-oxo-1,3-benzodithiol-7-yl) acetate.
Chemical Property Profile of 7-(Acetyloxy)-2-oxo-1,3-benzodithiol-4-yl acetate
Property Insights of 7-(Acetyloxy)-2-oxo-1,3-benzodithiol-4-yl acetate
The XLogP value of 2.1736 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-(Acetyloxy)-2-oxo-1,3-benzodithiol-4-yl acetate. The TPSA of 69.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(Acetyloxy)-2-oxo-1,3-benzodithiol-4-yl acetate. Following Lipinski's Rule of Five, 7-(Acetyloxy)-2-oxo-1,3-benzodithiol-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 7-(Acetyloxy)-2-oxo-1,3-benzodithiol-4-yl acetate?
The CAS number of 7-(Acetyloxy)-2-oxo-1,3-benzodithiol-4-yl acetate is 200576-02-9.
What is the molecular formula of 7-(Acetyloxy)-2-oxo-1,3-benzodithiol-4-yl acetate?
The molecular formula of 7-(Acetyloxy)-2-oxo-1,3-benzodithiol-4-yl acetate is C11H8O5S2.
What is the molecular weight of 7-(Acetyloxy)-2-oxo-1,3-benzodithiol-4-yl acetate?
The molecular weight of 7-(Acetyloxy)-2-oxo-1,3-benzodithiol-4-yl acetate is 283.98 g/mol.
Where can I buy 7-(Acetyloxy)-2-oxo-1,3-benzodithiol-4-yl acetate?
You can request a quote for 7-(Acetyloxy)-2-oxo-1,3-benzodithiol-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 7-(Acetyloxy)-2-oxo-1,3-benzodithiol-4-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 7-(Acetyloxy)-2-oxo-1,3-benzodithiol-4-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.