2,4,6-Cycloheptatrien-1-one, 3-(dibromoacetyl)-2-hydroxy-
TL;DR: 2,4,6-Cycloheptatrien-1-one, 3-(dibromoacetyl)-2-hydroxy- (CAS 162335-25-3) is a chemical compound with molecular formula C9H6Br2O3 and molecular weight 319.87 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,2-dibromoacetyl)-2-hydroxycyclohepta-2,4,6-trien-1-one
Also Known As: 2,4,6-Cycloheptatrien-1-one, 3-(dibromoacetyl)-2-hydroxy-, 2,4,6-Cycloheptatrien-1-one,3-(dibromoacetyl)-2-hydroxy-, 3-(2,2-dibromoacetyl)-2-hydroxy-cyclohepta-2,4,6-trien-1-one
| Molecular Formula | C9H6Br2O3 |
|---|---|
| Molecular Weight | 319.87 g/mol |
| LogP | 2.051 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 319.86838 |
| Heavy Atoms | 14 |
| Complexity | 415.12012 |
Chemical Identifiers
| CAS Number | 162335-25-3 |
|---|---|
| SMILES | C1=CC(=C(C(=O)C=C1)O)C(=O)C(Br)Br |
Product Overview
2,4,6-Cycloheptatrien-1-one, 3-(dibromoacetyl)-2-hydroxy- (CAS 162335-25-3), with molecular formula C9H6Br2O3 and molecular weight 319.87 g/mol. IUPAC: 3-(2,2-dibromoacetyl)-2-hydroxycyclohepta-2,4,6-trien-1-one.
Chemical Property Profile of 2,4,6-Cycloheptatrien-1-one, 3-(dibromoacetyl)-2-hydroxy-
Property Insights of 2,4,6-Cycloheptatrien-1-one, 3-(dibromoacetyl)-2-hydroxy-
The XLogP value of 2.051 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4,6-Cycloheptatrien-1-one, 3-(dibromoacetyl)-2-hydroxy-. With a topological polar surface area (TPSA) of 54.37 Ų, 2,4,6-Cycloheptatrien-1-one, 3-(dibromoacetyl)-2-hydroxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4,6-Cycloheptatrien-1-one, 3-(dibromoacetyl)-2-hydroxy- has 1 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 2,4,6-Cycloheptatrien-1-one, 3-(dibromoacetyl)-2-hydroxy-?
The CAS number of 2,4,6-Cycloheptatrien-1-one, 3-(dibromoacetyl)-2-hydroxy- is 162335-25-3.
What is the molecular formula of 2,4,6-Cycloheptatrien-1-one, 3-(dibromoacetyl)-2-hydroxy-?
The molecular formula of 2,4,6-Cycloheptatrien-1-one, 3-(dibromoacetyl)-2-hydroxy- is C9H6Br2O3.
What is the molecular weight of 2,4,6-Cycloheptatrien-1-one, 3-(dibromoacetyl)-2-hydroxy-?
The molecular weight of 2,4,6-Cycloheptatrien-1-one, 3-(dibromoacetyl)-2-hydroxy- is 319.87 g/mol.
Where can I buy 2,4,6-Cycloheptatrien-1-one, 3-(dibromoacetyl)-2-hydroxy-?
You can request a quote for 2,4,6-Cycloheptatrien-1-one, 3-(dibromoacetyl)-2-hydroxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,6-Cycloheptatrien-1-one, 3-(dibromoacetyl)-2-hydroxy-?
Yes, KEHONG BIO provides custom synthesis services for 2,4,6-Cycloheptatrien-1-one, 3-(dibromoacetyl)-2-hydroxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.