(2,6-Dibromo-4-methylsulfonylphenyl) acetate
TL;DR: (2,6-Dibromo-4-methylsulfonylphenyl) acetate (CAS 20951-09-1) is a chemical compound with molecular formula C9H8Br2O4S and molecular weight 369.85 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,6-dibromo-4-methylsulfonylphenyl) acetate
Also Known As: (2,6-dibromo-4-methylsulfonylphenyl) acetate, 2,6-dibromo-4-(methylsulfonyl)phenyl acetate, Phenol, 2,6-dibromo-4-(methylsulfonyl)-, 1-acetate, 2,6-Dibromo-4-(methanesulfonyl)phenyl acetate, AJ-087/25124008
| Molecular Formula | C9H8Br2O4S |
|---|---|
| Molecular Weight | 369.85 g/mol |
| LogP | 2.5404 |
| Topological Polar Surface Area | 60.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 369.851 |
| Heavy Atoms | 16 |
| Complexity | 513.4351 |
Chemical Identifiers
| CAS Number | 20951-09-1 |
|---|---|
| SMILES | CC(=O)OC1=C(C=C(C=C1Br)S(=O)(=O)C)Br |
Product Overview
(2,6-Dibromo-4-methylsulfonylphenyl) acetate (CAS 20951-09-1), with molecular formula C9H8Br2O4S and molecular weight 369.85 g/mol. IUPAC: (2,6-dibromo-4-methylsulfonylphenyl) acetate.
Chemical Property Profile of (2,6-Dibromo-4-methylsulfonylphenyl) acetate
Property Insights of (2,6-Dibromo-4-methylsulfonylphenyl) acetate
The XLogP value of 2.5404 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2,6-Dibromo-4-methylsulfonylphenyl) acetate. The TPSA of 60.44 Ų falls within the moderate polarity range, balancing permeability and solubility for (2,6-Dibromo-4-methylsulfonylphenyl) acetate. Following Lipinski's Rule of Five, (2,6-Dibromo-4-methylsulfonylphenyl) acetate has 0 hydrogen bond donor(s) and 4 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 (2,6-Dibromo-4-methylsulfonylphenyl) acetate?
The CAS number of (2,6-Dibromo-4-methylsulfonylphenyl) acetate is 20951-09-1.
What is the molecular formula of (2,6-Dibromo-4-methylsulfonylphenyl) acetate?
The molecular formula of (2,6-Dibromo-4-methylsulfonylphenyl) acetate is C9H8Br2O4S.
What is the molecular weight of (2,6-Dibromo-4-methylsulfonylphenyl) acetate?
The molecular weight of (2,6-Dibromo-4-methylsulfonylphenyl) acetate is 369.85 g/mol.
Where can I buy (2,6-Dibromo-4-methylsulfonylphenyl) acetate?
You can request a quote for (2,6-Dibromo-4-methylsulfonylphenyl) acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2,6-Dibromo-4-methylsulfonylphenyl) acetate?
Yes, KEHONG BIO provides custom synthesis services for (2,6-Dibromo-4-methylsulfonylphenyl) acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.