3,7-Dibromotropolone
TL;DR: 3,7-Dibromotropolone (CAS 4636-41-3) is a chemical compound with molecular formula C7H4Br2O2 and molecular weight 277.86 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,7-dibromo-2-hydroxycyclohepta-2,4,6-trien-1-one
Also Known As: 3,7-Dibromotropolone, 3,7-dibromo-2-hydroxycyclohepta-2,4,6-trien-1-one, 2-Hydroxy-3,7-dibromo-2,4,6-cycloheptatriene-1-one, 3,7-Dibromo-2-hydroxy-2,4,6-cycloheptatrien-1-one, 2,4,6-Cycloheptatrien-1-one, 3,7-dibromo-2-hydroxy-
| Molecular Formula | C7H4Br2O2 |
|---|---|
| Molecular Weight | 277.86 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 277.8578 |
| Heavy Atoms | 11 |
| Complexity | 287.0 |
Chemical Identifiers
| CAS Number | 4636-41-3 |
|---|---|
| SMILES | C1=CC(=C(C(=O)C(=C1)Br)O)Br |
| InChIKey | RSXVFMVFPPBRGL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,7-Dibromotropolone (CAS 4636-41-3), with molecular formula C7H4Br2O2 and molecular weight 277.86 g/mol. IUPAC: 3,7-dibromo-2-hydroxycyclohepta-2,4,6-trien-1-one.
Chemical Property Profile of 3,7-Dibromotropolone
Property Insights of 3,7-Dibromotropolone
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,7-Dibromotropolone. With a topological polar surface area (TPSA) of 37.3 Ų, 3,7-Dibromotropolone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,7-Dibromotropolone 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 3,7-Dibromotropolone?
The CAS number of 3,7-Dibromotropolone is 4636-41-3.
What is the molecular formula of 3,7-Dibromotropolone?
The molecular formula of 3,7-Dibromotropolone is C7H4Br2O2.
What is the molecular weight of 3,7-Dibromotropolone?
The molecular weight of 3,7-Dibromotropolone is 277.86 g/mol.
Where can I buy 3,7-Dibromotropolone?
You can request a quote for 3,7-Dibromotropolone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,7-Dibromotropolone?
Yes, KEHONG BIO provides custom synthesis services for 3,7-Dibromotropolone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.