3,7-Dibromo-2-hydroxy-5-hydroxymethyl-2,4,6-cycloheptatrien-1-one
TL;DR: 3,7-Dibromo-2-hydroxy-5-hydroxymethyl-2,4,6-cycloheptatrien-1-one (CAS 33739-58-1) is a chemical compound with molecular formula C8H6Br2O3 and molecular weight 307.87 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,7-dibromo-2-hydroxy-5-(hydroxymethyl)cyclohepta-2,4,6-trien-1-one
Also Known As: 3,7-dibromo-5-hydroxymethyl-tropolone, J1.398.795E, 3,7-Dibromo-2-hydroxy-5-hydroxymethyl-2,4,6-cycloheptatrien-1-one, 3,7-dibromo-2-hydroxy-5-(hydroxymethyl)cyclohepta-2,4,6-trien-1-one, 3,7-Dibromo-2-hydroxy-5-(hydroxymethyl)-2,4,6-cycloheptatriene-1-one
| Molecular Formula | C8H6Br2O3 |
|---|---|
| Molecular Weight | 307.87 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 307.86838 |
| Heavy Atoms | 13 |
| Complexity | 339.0 |
Chemical Identifiers
| CAS Number | 33739-58-1 |
|---|---|
| SMILES | C1=C(C=C(C(=O)C(=C1Br)O)Br)CO |
| InChIKey | VATNEIQUGGFCJT-UHFFFAOYSA-N |
Product Overview
3,7-Dibromo-2-hydroxy-5-hydroxymethyl-2,4,6-cycloheptatrien-1-one (CAS 33739-58-1), with molecular formula C8H6Br2O3 and molecular weight 307.87 g/mol. IUPAC: 3,7-dibromo-2-hydroxy-5-(hydroxymethyl)cyclohepta-2,4,6-trien-1-one.
Chemical Property Profile of 3,7-Dibromo-2-hydroxy-5-hydroxymethyl-2,4,6-cycloheptatrien-1-one
Property Insights of 3,7-Dibromo-2-hydroxy-5-hydroxymethyl-2,4,6-cycloheptatrien-1-one
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,7-Dibromo-2-hydroxy-5-hydroxymethyl-2,4,6-cycloheptatrien-1-one. With a topological polar surface area (TPSA) of 57.5 Ų, 3,7-Dibromo-2-hydroxy-5-hydroxymethyl-2,4,6-cycloheptatrien-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,7-Dibromo-2-hydroxy-5-hydroxymethyl-2,4,6-cycloheptatrien-1-one 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
Frequently Asked Questions
What is the CAS number of 3,7-Dibromo-2-hydroxy-5-hydroxymethyl-2,4,6-cycloheptatrien-1-one?
The CAS number of 3,7-Dibromo-2-hydroxy-5-hydroxymethyl-2,4,6-cycloheptatrien-1-one is 33739-58-1.
What is the molecular formula of 3,7-Dibromo-2-hydroxy-5-hydroxymethyl-2,4,6-cycloheptatrien-1-one?
The molecular formula of 3,7-Dibromo-2-hydroxy-5-hydroxymethyl-2,4,6-cycloheptatrien-1-one is C8H6Br2O3.
What is the molecular weight of 3,7-Dibromo-2-hydroxy-5-hydroxymethyl-2,4,6-cycloheptatrien-1-one?
The molecular weight of 3,7-Dibromo-2-hydroxy-5-hydroxymethyl-2,4,6-cycloheptatrien-1-one is 307.87 g/mol.
Where can I buy 3,7-Dibromo-2-hydroxy-5-hydroxymethyl-2,4,6-cycloheptatrien-1-one?
You can request a quote for 3,7-Dibromo-2-hydroxy-5-hydroxymethyl-2,4,6-cycloheptatrien-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,7-Dibromo-2-hydroxy-5-hydroxymethyl-2,4,6-cycloheptatrien-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3,7-Dibromo-2-hydroxy-5-hydroxymethyl-2,4,6-cycloheptatrien-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.