4,6-Dibromo-2-oxo-1,3-benzoxathiol-5-yl acetate
TL;DR: 4,6-Dibromo-2-oxo-1,3-benzoxathiol-5-yl acetate (CAS 7735-62-8) is a chemical compound with molecular formula C9H4Br2O4S and molecular weight 365.82 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4,6-dibromo-2-oxo-1,3-benzoxathiol-5-yl) acetate
Also Known As: 4,6-dibromo-2-oxo-1,3-benzoxathiol-5-yl acetate, BAS 01022334, (4,6-dibromo-2-oxo-1,3-benzoxathiol-5-yl) acetate, 5-(Acetyloxy)-4,6-dibromo-1,3-benzoxathiol-2-one, 4,6-dibromo-2-oxo-2H-1,3-benzoxathiol-5-yl acetate
| Molecular Formula | C9H4Br2O4S |
|---|---|
| Molecular Weight | 365.82 g/mol |
| LogP | 3.3048 |
| Topological Polar Surface Area | 56.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 365.8197 |
| Heavy Atoms | 16 |
| Complexity | 628.20605 |
Chemical Identifiers
| CAS Number | 7735-62-8 |
|---|---|
| SMILES | CC(=O)OC1=C(C=C2C(=C1Br)SC(=O)O2)Br |
Product Overview
4,6-Dibromo-2-oxo-1,3-benzoxathiol-5-yl acetate (CAS 7735-62-8), with molecular formula C9H4Br2O4S and molecular weight 365.82 g/mol. IUPAC: (4,6-dibromo-2-oxo-1,3-benzoxathiol-5-yl) acetate.
Chemical Property Profile of 4,6-Dibromo-2-oxo-1,3-benzoxathiol-5-yl acetate
Property Insights of 4,6-Dibromo-2-oxo-1,3-benzoxathiol-5-yl acetate
The XLogP value of 3.3048 indicates that 4,6-Dibromo-2-oxo-1,3-benzoxathiol-5-yl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.51 Ų, 4,6-Dibromo-2-oxo-1,3-benzoxathiol-5-yl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,6-Dibromo-2-oxo-1,3-benzoxathiol-5-yl acetate has 0 hydrogen bond donor(s) and 5 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 4,6-Dibromo-2-oxo-1,3-benzoxathiol-5-yl acetate?
The CAS number of 4,6-Dibromo-2-oxo-1,3-benzoxathiol-5-yl acetate is 7735-62-8.
What is the molecular formula of 4,6-Dibromo-2-oxo-1,3-benzoxathiol-5-yl acetate?
The molecular formula of 4,6-Dibromo-2-oxo-1,3-benzoxathiol-5-yl acetate is C9H4Br2O4S.
What is the molecular weight of 4,6-Dibromo-2-oxo-1,3-benzoxathiol-5-yl acetate?
The molecular weight of 4,6-Dibromo-2-oxo-1,3-benzoxathiol-5-yl acetate is 365.82 g/mol.
Where can I buy 4,6-Dibromo-2-oxo-1,3-benzoxathiol-5-yl acetate?
You can request a quote for 4,6-Dibromo-2-oxo-1,3-benzoxathiol-5-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,6-Dibromo-2-oxo-1,3-benzoxathiol-5-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 4,6-Dibromo-2-oxo-1,3-benzoxathiol-5-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.