2,5-Heptadien-4-one, 3,5-dibromo-2,6-dimethyl-
TL;DR: 2,5-Heptadien-4-one, 3,5-dibromo-2,6-dimethyl- (CAS 5682-79-1) is a chemical compound with molecular formula C9H12Br2O and molecular weight 293.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dibromo-2,6-dimethylhepta-2,5-dien-4-one
Also Known As: 3,5-Dibromo-2,6-dimethyl-2,5-heptadien-4-one, 3,5-dibromo-2,6-dimethylhepta-2,5-dien-4-one, 2,5-Heptadien-4-one, 3,5-dibromo-2,6-dimethyl-, 3,5-dibromo-2,6-dimethyl-4-hepta-2,5-dienone, 3,5-Dibromo-2,6-dimethyl-2,5-heptadiene-4-one
| Molecular Formula | C9H12Br2O |
|---|---|
| Molecular Weight | 293.93 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 295.92343 |
| Heavy Atoms | 12 |
| Complexity | 228.0 |
Chemical Identifiers
| CAS Number | 5682-79-1 |
|---|---|
| SMILES | CC(=C(C(=O)C(=C(C)C)Br)Br)C |
| InChIKey | PUEVYUYFTVIIKD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,5-Heptadien-4-one, 3,5-dibromo-2,6-dimethyl- (CAS 5682-79-1), with molecular formula C9H12Br2O and molecular weight 293.93 g/mol. IUPAC: 3,5-dibromo-2,6-dimethylhepta-2,5-dien-4-one.
Chemical Property Profile of 2,5-Heptadien-4-one, 3,5-dibromo-2,6-dimethyl-
Property Insights of 2,5-Heptadien-4-one, 3,5-dibromo-2,6-dimethyl-
The XLogP value of 4.6 indicates that 2,5-Heptadien-4-one, 3,5-dibromo-2,6-dimethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 2,5-Heptadien-4-one, 3,5-dibromo-2,6-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5-Heptadien-4-one, 3,5-dibromo-2,6-dimethyl- has 0 hydrogen bond donor(s) and 1 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 2,5-Heptadien-4-one, 3,5-dibromo-2,6-dimethyl-?
The CAS number of 2,5-Heptadien-4-one, 3,5-dibromo-2,6-dimethyl- is 5682-79-1.
What is the molecular formula of 2,5-Heptadien-4-one, 3,5-dibromo-2,6-dimethyl-?
The molecular formula of 2,5-Heptadien-4-one, 3,5-dibromo-2,6-dimethyl- is C9H12Br2O.
What is the molecular weight of 2,5-Heptadien-4-one, 3,5-dibromo-2,6-dimethyl-?
The molecular weight of 2,5-Heptadien-4-one, 3,5-dibromo-2,6-dimethyl- is 293.93 g/mol.
Where can I buy 2,5-Heptadien-4-one, 3,5-dibromo-2,6-dimethyl-?
You can request a quote for 2,5-Heptadien-4-one, 3,5-dibromo-2,6-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-Heptadien-4-one, 3,5-dibromo-2,6-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Heptadien-4-one, 3,5-dibromo-2,6-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.