2,4,6-Cycloheptatrien-1-one, 3,5-dibromo-2-hydroxy-6-(1-methylethyl)-
TL;DR: 2,4,6-Cycloheptatrien-1-one, 3,5-dibromo-2-hydroxy-6-(1-methylethyl)- (CAS 6688-76-2) is a chemical compound with molecular formula C10H10Br2O2 and molecular weight 319.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dibromo-2-hydroxy-6-propan-2-ylcyclohepta-2,4,6-trien-1-one
Also Known As: 5,7-Dibromo-4-isopropyltropolone, 3,5-Dibromo-6-isopropyltropolone, J1.399.810H, 2,4,6-Cycloheptatrien-1-one, 3,5-dibromo-2-hydroxy-6-(1-methylethyl)-, 3,5-dibromo-2-hydroxy-6-(propan-2-yl)cyclohepta-2,4,6-trien-1-one
| Molecular Formula | C10H10Br2O2 |
|---|---|
| Molecular Weight | 319.90 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 319.90475 |
| Heavy Atoms | 14 |
| Complexity | 362.0 |
Chemical Identifiers
| CAS Number | 6688-76-2 |
|---|---|
| SMILES | CC(C)C1=CC(=O)C(=C(C=C1Br)Br)O |
| InChIKey | MCFCJAYMTITVHV-UHFFFAOYSA-N |
Product Overview
2,4,6-Cycloheptatrien-1-one, 3,5-dibromo-2-hydroxy-6-(1-methylethyl)- (CAS 6688-76-2), with molecular formula C10H10Br2O2 and molecular weight 319.90 g/mol. IUPAC: 3,5-dibromo-2-hydroxy-6-propan-2-ylcyclohepta-2,4,6-trien-1-one.
Chemical Property Profile of 2,4,6-Cycloheptatrien-1-one, 3,5-dibromo-2-hydroxy-6-(1-methylethyl)-
Property Insights of 2,4,6-Cycloheptatrien-1-one, 3,5-dibromo-2-hydroxy-6-(1-methylethyl)-
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4,6-Cycloheptatrien-1-one, 3,5-dibromo-2-hydroxy-6-(1-methylethyl)-. With a topological polar surface area (TPSA) of 37.3 Ų, 2,4,6-Cycloheptatrien-1-one, 3,5-dibromo-2-hydroxy-6-(1-methylethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4,6-Cycloheptatrien-1-one, 3,5-dibromo-2-hydroxy-6-(1-methylethyl)- has 1 hydrogen bond donor(s) and 2 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, 3,5-dibromo-2-hydroxy-6-(1-methylethyl)-?
The CAS number of 2,4,6-Cycloheptatrien-1-one, 3,5-dibromo-2-hydroxy-6-(1-methylethyl)- is 6688-76-2.
What is the molecular formula of 2,4,6-Cycloheptatrien-1-one, 3,5-dibromo-2-hydroxy-6-(1-methylethyl)-?
The molecular formula of 2,4,6-Cycloheptatrien-1-one, 3,5-dibromo-2-hydroxy-6-(1-methylethyl)- is C10H10Br2O2.
What is the molecular weight of 2,4,6-Cycloheptatrien-1-one, 3,5-dibromo-2-hydroxy-6-(1-methylethyl)-?
The molecular weight of 2,4,6-Cycloheptatrien-1-one, 3,5-dibromo-2-hydroxy-6-(1-methylethyl)- is 319.90 g/mol.
Where can I buy 2,4,6-Cycloheptatrien-1-one, 3,5-dibromo-2-hydroxy-6-(1-methylethyl)-?
You can request a quote for 2,4,6-Cycloheptatrien-1-one, 3,5-dibromo-2-hydroxy-6-(1-methylethyl)- 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, 3,5-dibromo-2-hydroxy-6-(1-methylethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2,4,6-Cycloheptatrien-1-one, 3,5-dibromo-2-hydroxy-6-(1-methylethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.