2,4,6-Cycloheptatrien-1-one, 5-amino-7-bromo-2-hydroxy-
TL;DR: 2,4,6-Cycloheptatrien-1-one, 5-amino-7-bromo-2-hydroxy- (CAS 36039-42-6) is a chemical compound with molecular formula C7H6BrNO2 and molecular weight 214.95819 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-amino-3-bromo-2-hydroxycyclohepta-2,4,6-trien-1-one
Also Known As: 5-Amino-7-bromotropolone, 5-Amino-7-bromo-2-hydroxy-2,4,6-cycloheptatrien-1-one, 4-14-00-00527 (Beilstein Handbook Reference), 2,4,6-CYCLOHEPTATRIEN-1-ONE, 5-AMINO-7-BROMO-2-HYDROXY-, 5-amino-3-bromo-2-hydroxycyclohepta-2,4,6-trien-1-one
Technical Specifications
| Molecular Formula | C7H6BrNO2 |
| Molecular Weight | 214.95819 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 63.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 214.95819 Da |
| Heavy Atoms | 11 |
| Complexity | 289.0 |
| SMILES | C1=CC(=O)C(=C(C=C1N)Br)O |
| InChIKey | KPCYIJKZGZSGAS-UHFFFAOYSA-N |
Chemical Property Profile of 2,4,6-Cycloheptatrien-1-one, 5-amino-7-bromo-2-hydroxy-
Property Insights of 2,4,6-Cycloheptatrien-1-one, 5-amino-7-bromo-2-hydroxy-
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4,6-Cycloheptatrien-1-one, 5-amino-7-bromo-2-hydroxy-. The TPSA of 63.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4,6-Cycloheptatrien-1-one, 5-amino-7-bromo-2-hydroxy-. Following Lipinski's Rule of Five, 2,4,6-Cycloheptatrien-1-one, 5-amino-7-bromo-2-hydroxy- has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2,4,6-Cycloheptatrien-1-one, 5-amino-7-bromo-2-hydroxy-?
The CAS number of 2,4,6-Cycloheptatrien-1-one, 5-amino-7-bromo-2-hydroxy- is 36039-42-6.
What is the molecular formula of 2,4,6-Cycloheptatrien-1-one, 5-amino-7-bromo-2-hydroxy-?
The molecular formula of 2,4,6-Cycloheptatrien-1-one, 5-amino-7-bromo-2-hydroxy- is C7H6BrNO2.
What is the molecular weight of 2,4,6-Cycloheptatrien-1-one, 5-amino-7-bromo-2-hydroxy-?
The molecular weight of 2,4,6-Cycloheptatrien-1-one, 5-amino-7-bromo-2-hydroxy- is 214.95819 g/mol.
Where can I buy 2,4,6-Cycloheptatrien-1-one, 5-amino-7-bromo-2-hydroxy-?
You can request a quote for 2,4,6-Cycloheptatrien-1-one, 5-amino-7-bromo-2-hydroxy- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,4,6-Cycloheptatrien-1-one, 5-amino-7-bromo-2-hydroxy-?
Yes, CoreyChem provides custom synthesis services for 2,4,6-Cycloheptatrien-1-one, 5-amino-7-bromo-2-hydroxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.