3,7-Dibromo-4-isopropyltropolone
TL;DR: 3,7-Dibromo-4-isopropyltropolone (CAS 4584-66-1) 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.
2,6-dibromo-7-hydroxy-3-propan-2-ylcyclohepta-2,4,6-trien-1-one
Also Known As: 3,7-Dibromo-4-isopropyltropolone, J1.399.811F, 3,7-dibromo-2-hydroxy-4-(propan-2-yl)cyclohepta-2,4,6-trien-1-one, 2,6-dibromo-7-hydroxy-3-propan-2-ylcyclohepta-2,4,6-trien-1-one, 3,7-Dibromo-2-hydroxy-4-isopropyl-2,4,6-cycloheptatrien-1-one #
| Molecular Formula | C10H10Br2O2 |
|---|---|
| Molecular Weight | 319.90 g/mol |
| LogP | 3.4 |
| 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 | 4584-66-1 |
|---|---|
| SMILES | CC(C)C1=C(C(=O)C(=C(C=C1)Br)O)Br |
| InChIKey | FEHMNUNVDNGBFI-UHFFFAOYSA-N |
Product Overview
3,7-Dibromo-4-isopropyltropolone (CAS 4584-66-1), with molecular formula C10H10Br2O2 and molecular weight 319.90 g/mol. IUPAC: 2,6-dibromo-7-hydroxy-3-propan-2-ylcyclohepta-2,4,6-trien-1-one.
Chemical Property Profile of 3,7-Dibromo-4-isopropyltropolone
Property Insights of 3,7-Dibromo-4-isopropyltropolone
The XLogP value of 3.4 indicates that 3,7-Dibromo-4-isopropyltropolone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 3,7-Dibromo-4-isopropyltropolone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,7-Dibromo-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 3,7-Dibromo-4-isopropyltropolone?
The CAS number of 3,7-Dibromo-4-isopropyltropolone is 4584-66-1.
What is the molecular formula of 3,7-Dibromo-4-isopropyltropolone?
The molecular formula of 3,7-Dibromo-4-isopropyltropolone is C10H10Br2O2.
What is the molecular weight of 3,7-Dibromo-4-isopropyltropolone?
The molecular weight of 3,7-Dibromo-4-isopropyltropolone is 319.90 g/mol.
Where can I buy 3,7-Dibromo-4-isopropyltropolone?
You can request a quote for 3,7-Dibromo-4-isopropyltropolone 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-4-isopropyltropolone?
Yes, KEHONG BIO provides custom synthesis services for 3,7-Dibromo-4-isopropyltropolone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.