2,6-Dibromo-4-(methylsulfanyl)phenyl acetate
TL;DR: 2,6-Dibromo-4-(methylsulfanyl)phenyl acetate (CAS 76344-57-5) is a chemical compound with molecular formula C9H8Br2O2S and molecular weight 337.86 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,6-dibromo-4-methylsulfanylphenyl) acetate
Also Known As: 2,6-dibromo-4-(methylsulfanyl)phenyl acetate, (2,6-dibromo-4-methylsulfanylphenyl) acetate, 2,6-Dibromo-4-(methylthio)phenyl acetate, AJ-087/25124011
| Molecular Formula | C9H8Br2O2S |
|---|---|
| Molecular Weight | 337.86 g/mol |
| LogP | 3.8588 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 337.86118 |
| Heavy Atoms | 14 |
| Complexity | 342.82474 |
Chemical Identifiers
| CAS Number | 76344-57-5 |
|---|---|
| SMILES | CC(=O)OC1=C(C=C(C=C1Br)SC)Br |
Product Overview
2,6-Dibromo-4-(methylsulfanyl)phenyl acetate (CAS 76344-57-5), with molecular formula C9H8Br2O2S and molecular weight 337.86 g/mol. IUPAC: (2,6-dibromo-4-methylsulfanylphenyl) acetate.
Chemical Property Profile of 2,6-Dibromo-4-(methylsulfanyl)phenyl acetate
Property Insights of 2,6-Dibromo-4-(methylsulfanyl)phenyl acetate
The XLogP value of 3.8588 indicates that 2,6-Dibromo-4-(methylsulfanyl)phenyl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 2,6-Dibromo-4-(methylsulfanyl)phenyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-Dibromo-4-(methylsulfanyl)phenyl acetate has 0 hydrogen bond donor(s) and 3 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-(methylsulfanyl)phenyl acetate?
The CAS number of 2,6-Dibromo-4-(methylsulfanyl)phenyl acetate is 76344-57-5.
What is the molecular formula of 2,6-Dibromo-4-(methylsulfanyl)phenyl acetate?
The molecular formula of 2,6-Dibromo-4-(methylsulfanyl)phenyl acetate is C9H8Br2O2S.
What is the molecular weight of 2,6-Dibromo-4-(methylsulfanyl)phenyl acetate?
The molecular weight of 2,6-Dibromo-4-(methylsulfanyl)phenyl acetate is 337.86 g/mol.
Where can I buy 2,6-Dibromo-4-(methylsulfanyl)phenyl acetate?
You can request a quote for 2,6-Dibromo-4-(methylsulfanyl)phenyl 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-(methylsulfanyl)phenyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Dibromo-4-(methylsulfanyl)phenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.