3,4-Hexanedione, 2,5-dibromo-
TL;DR: 3,4-Hexanedione, 2,5-dibromo- (CAS 51200-83-0) is a chemical compound with molecular formula C6H8Br2O2 and molecular weight 269.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-dibromohexane-3,4-dione
Also Known As: 2,5-Dibromohexane-3,4-dione, 2,5-Dibromo-3,4-hexanedione, 3,4-Hexandione, 2,5-dibromo-, 3,4-Hexanedione, 2,5-dibromo-, 2,5-dibromo-hexane-3,4-dione
| Molecular Formula | C6H8Br2O2 |
|---|---|
| Molecular Weight | 269.89 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 269.8891 |
| Heavy Atoms | 10 |
| Complexity | 138.0 |
Chemical Identifiers
| CAS Number | 51200-83-0 |
|---|---|
| SMILES | CC(C(=O)C(=O)C(C)Br)Br |
| InChIKey | QISBUOBKMZFWRW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4-Hexanedione, 2,5-dibromo- (CAS 51200-83-0), with molecular formula C6H8Br2O2 and molecular weight 269.89 g/mol. IUPAC: 2,5-dibromohexane-3,4-dione.
Chemical Property Profile of 3,4-Hexanedione, 2,5-dibromo-
Property Insights of 3,4-Hexanedione, 2,5-dibromo-
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Hexanedione, 2,5-dibromo-. With a topological polar surface area (TPSA) of 34.1 Ų, 3,4-Hexanedione, 2,5-dibromo- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Hexanedione, 2,5-dibromo- has 0 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 3,4-Hexanedione, 2,5-dibromo-?
The CAS number of 3,4-Hexanedione, 2,5-dibromo- is 51200-83-0.
What is the molecular formula of 3,4-Hexanedione, 2,5-dibromo-?
The molecular formula of 3,4-Hexanedione, 2,5-dibromo- is C6H8Br2O2.
What is the molecular weight of 3,4-Hexanedione, 2,5-dibromo-?
The molecular weight of 3,4-Hexanedione, 2,5-dibromo- is 269.89 g/mol.
Where can I buy 3,4-Hexanedione, 2,5-dibromo-?
You can request a quote for 3,4-Hexanedione, 2,5-dibromo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Hexanedione, 2,5-dibromo-?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Hexanedione, 2,5-dibromo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.