2-(Bromomethyl)-6-methyl-4H-pyran-4-one
TL;DR: 2-(Bromomethyl)-6-methyl-4H-pyran-4-one (CAS 99809-37-7) 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.
2-(bromomethyl)-6-methylpyran-4-one
Also Known As: 2-(Bromomethyl)-6-methyl-4H-pyran-4-one, 2-(bromomethyl)-6-methylpyran-4-one, 4H-Pyran-4-one, 2-(bromomethyl)-6-methyl-, 2-Bromomethyl-6-methyl-4H-pyran-4-one, 2-(Bromomethyl)-6-methyl-4H-pyran-4-one #
| Molecular Formula | C7H7BrO2 |
|---|---|
| Molecular Weight | 201.96 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 201.96294 |
| Heavy Atoms | 10 |
| Complexity | 216.0 |
Chemical Identifiers
| CAS Number | 99809-37-7 |
|---|---|
| SMILES | CC1=CC(=O)C=C(O1)CBr |
| InChIKey | SXGOWNPJSBNJJR-UHFFFAOYSA-N |
Product Overview
2-(Bromomethyl)-6-methyl-4H-pyran-4-one (CAS 99809-37-7), with molecular formula C7H7BrO2 and molecular weight 201.96 g/mol. IUPAC: 2-(bromomethyl)-6-methylpyran-4-one.
Chemical Property Profile of 2-(Bromomethyl)-6-methyl-4H-pyran-4-one
Property Insights of 2-(Bromomethyl)-6-methyl-4H-pyran-4-one
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Bromomethyl)-6-methyl-4H-pyran-4-one. With a topological polar surface area (TPSA) of 26.3 Ų, 2-(Bromomethyl)-6-methyl-4H-pyran-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Bromomethyl)-6-methyl-4H-pyran-4-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 2-(Bromomethyl)-6-methyl-4H-pyran-4-one?
The CAS number of 2-(Bromomethyl)-6-methyl-4H-pyran-4-one is 99809-37-7.
What is the molecular formula of 2-(Bromomethyl)-6-methyl-4H-pyran-4-one?
The molecular formula of 2-(Bromomethyl)-6-methyl-4H-pyran-4-one is C7H7BrO2.
What is the molecular weight of 2-(Bromomethyl)-6-methyl-4H-pyran-4-one?
The molecular weight of 2-(Bromomethyl)-6-methyl-4H-pyran-4-one is 201.96 g/mol.
Where can I buy 2-(Bromomethyl)-6-methyl-4H-pyran-4-one?
You can request a quote for 2-(Bromomethyl)-6-methyl-4H-pyran-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Bromomethyl)-6-methyl-4H-pyran-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(Bromomethyl)-6-methyl-4H-pyran-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.