3-Bromo-4,6-dimethyl-2H-pyran-2-one
TL;DR: 3-Bromo-4,6-dimethyl-2H-pyran-2-one (CAS 669-95-4) is a chemical compound with molecular formula C7H7BrO2 and molecular weight 201.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-4,6-dimethylpyran-2-one
Also Known As: 3-Bromo-4,6-dimethyl-2H-pyran-2-one, 3-Bromo-4,6-dimethyl-2-pyrone, 3-bromo-4,6-dimethylpyran-2-one, 3-Brom-4,6-dimethyl-pyran-2-on, 2H-Pyran-2-one, 3-bromo-4,6-dimethyl-
| Molecular Formula | C7H7BrO2 |
|---|---|
| Molecular Weight | 201.96 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 201.96294 |
| Heavy Atoms | 10 |
| Complexity | 238.0 |
Chemical Identifiers
| CAS Number | 669-95-4 |
|---|---|
| SMILES | CC1=CC(=C(C(=O)O1)Br)C |
| InChIKey | PCJLUGUBXDBHFL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Bromo-4,6-dimethyl-2H-pyran-2-one (CAS 669-95-4), with molecular formula C7H7BrO2 and molecular weight 201.96 g/mol. IUPAC: 3-bromo-4,6-dimethylpyran-2-one.
Chemical Property Profile of 3-Bromo-4,6-dimethyl-2H-pyran-2-one
Property Insights of 3-Bromo-4,6-dimethyl-2H-pyran-2-one
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Bromo-4,6-dimethyl-2H-pyran-2-one. With a topological polar surface area (TPSA) of 26.3 Ų, 3-Bromo-4,6-dimethyl-2H-pyran-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromo-4,6-dimethyl-2H-pyran-2-one 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-Bromo-4,6-dimethyl-2H-pyran-2-one?
The CAS number of 3-Bromo-4,6-dimethyl-2H-pyran-2-one is 669-95-4.
What is the molecular formula of 3-Bromo-4,6-dimethyl-2H-pyran-2-one?
The molecular formula of 3-Bromo-4,6-dimethyl-2H-pyran-2-one is C7H7BrO2.
What is the molecular weight of 3-Bromo-4,6-dimethyl-2H-pyran-2-one?
The molecular weight of 3-Bromo-4,6-dimethyl-2H-pyran-2-one is 201.96 g/mol.
Where can I buy 3-Bromo-4,6-dimethyl-2H-pyran-2-one?
You can request a quote for 3-Bromo-4,6-dimethyl-2H-pyran-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromo-4,6-dimethyl-2H-pyran-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-4,6-dimethyl-2H-pyran-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.