3-Bromotropolone
TL;DR: 3-Bromotropolone (CAS 4584-68-3) is a chemical compound with molecular formula C7H5BrO2 and molecular weight 199.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-2-hydroxycyclohepta-2,4,6-trien-1-one
Also Known As: 3-Bromotropolone, 3-Bromo-2-hydroxy-2,4,6-cycloheptatrien-1-one, 2,4,6-CYCLOHEPTATRIEN-1-ONE, 3-BROMO-2-HYDROXY-, 3-bromo-2-hydroxycyclohepta-2,4,6-trien-1-one, 4-08-00-00164 (Beilstein Handbook Reference)
| Molecular Formula | C7H5BrO2 |
|---|---|
| Molecular Weight | 199.95 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 199.9473 |
| Heavy Atoms | 10 |
| Complexity | 248.0 |
Chemical Identifiers
| CAS Number | 4584-68-3 |
|---|---|
| SMILES | C1=CC(=C(C(=O)C=C1)O)Br |
| InChIKey | ZWZVMMDEDBKUEC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Bromotropolone (CAS 4584-68-3), with molecular formula C7H5BrO2 and molecular weight 199.95 g/mol. IUPAC: 3-bromo-2-hydroxycyclohepta-2,4,6-trien-1-one.
Chemical Property Profile of 3-Bromotropolone
Property Insights of 3-Bromotropolone
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Bromotropolone. With a topological polar surface area (TPSA) of 37.3 Ų, 3-Bromotropolone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromotropolone 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-Bromotropolone?
The CAS number of 3-Bromotropolone is 4584-68-3.
What is the molecular formula of 3-Bromotropolone?
The molecular formula of 3-Bromotropolone is C7H5BrO2.
What is the molecular weight of 3-Bromotropolone?
The molecular weight of 3-Bromotropolone is 199.95 g/mol.
Where can I buy 3-Bromotropolone?
You can request a quote for 3-Bromotropolone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromotropolone?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromotropolone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.