5-Bromo-4-isopropyltropolone
TL;DR: 5-Bromo-4-isopropyltropolone (CAS 90841-50-2) is a chemical compound with molecular formula C10H11BrO2 and molecular weight 241.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-2-hydroxy-6-propan-2-ylcyclohepta-2,4,6-trien-1-one
Also Known As: 5-Bromo-4-isopropyltropolone, J1.399.809D, 5-Bromo-2-hydroxy-4-(propan-2-yl)cyclohepta-2,4,6-trien-1-one, 5-Bromo-2-hydroxy-4-isopropyl-2,4,6-cycloheptatrien-1-one #, 5-Bromo-2-hydroxy-4-isopropyl-2,4,6-cycloheptatriene-1-one
| Molecular Formula | C10H11BrO2 |
|---|---|
| Molecular Weight | 241.99 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 241.99425 |
| Heavy Atoms | 13 |
| Complexity | 322.0 |
Chemical Identifiers
| CAS Number | 90841-50-2 |
|---|---|
| SMILES | CC(C)C1=CC(=O)C(=CC=C1Br)O |
| InChIKey | XXRFBIMTKXBOTJ-UHFFFAOYSA-N |
Product Overview
5-Bromo-4-isopropyltropolone (CAS 90841-50-2), with molecular formula C10H11BrO2 and molecular weight 241.99 g/mol. IUPAC: 5-bromo-2-hydroxy-6-propan-2-ylcyclohepta-2,4,6-trien-1-one.
Chemical Property Profile of 5-Bromo-4-isopropyltropolone
Property Insights of 5-Bromo-4-isopropyltropolone
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Bromo-4-isopropyltropolone. With a topological polar surface area (TPSA) of 37.3 Ų, 5-Bromo-4-isopropyltropolone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Bromo-4-isopropyltropolone 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 5-Bromo-4-isopropyltropolone?
The CAS number of 5-Bromo-4-isopropyltropolone is 90841-50-2.
What is the molecular formula of 5-Bromo-4-isopropyltropolone?
The molecular formula of 5-Bromo-4-isopropyltropolone is C10H11BrO2.
What is the molecular weight of 5-Bromo-4-isopropyltropolone?
The molecular weight of 5-Bromo-4-isopropyltropolone is 241.99 g/mol.
Where can I buy 5-Bromo-4-isopropyltropolone?
You can request a quote for 5-Bromo-4-isopropyltropolone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Bromo-4-isopropyltropolone?
Yes, KEHONG BIO provides custom synthesis services for 5-Bromo-4-isopropyltropolone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.