7-(Allyloxy)-4-methyl-2H-chromen-2-one
TL;DR: 7-(Allyloxy)-4-methyl-2H-chromen-2-one (CAS 52600-91-6) is a chemical compound with molecular formula C13H12O3 and molecular weight 216.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-7-prop-2-enoxychromen-2-one
Also Known As: 7-allyloxy-4-methylcoumarin, 7-(Allyloxy)-4-methyl-2H-chromen-2-one, 4-methyl-7-prop-2-enoxychromen-2-one, 4-Methyl-7-(allyloxy)coumarin, 7-allyloxy-4-methyl-chromen-2-one
| Molecular Formula | C13H12O3 |
|---|---|
| Molecular Weight | 216.08 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 216.07864 |
| Heavy Atoms | 16 |
| Complexity | 319.0 |
Chemical Identifiers
| CAS Number | 52600-91-6 |
|---|---|
| SMILES | CC1=CC(=O)OC2=C1C=CC(=C2)OCC=C |
| InChIKey | GLCBOQQZRISLFQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
7-(Allyloxy)-4-methyl-2H-chromen-2-one (CAS 52600-91-6), with molecular formula C13H12O3 and molecular weight 216.08 g/mol. IUPAC: 4-methyl-7-prop-2-enoxychromen-2-one.
Chemical Property Profile of 7-(Allyloxy)-4-methyl-2H-chromen-2-one
Property Insights of 7-(Allyloxy)-4-methyl-2H-chromen-2-one
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-(Allyloxy)-4-methyl-2H-chromen-2-one. With a topological polar surface area (TPSA) of 35.5 Ų, 7-(Allyloxy)-4-methyl-2H-chromen-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-(Allyloxy)-4-methyl-2H-chromen-2-one has 0 hydrogen bond donor(s) and 3 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 7-(Allyloxy)-4-methyl-2H-chromen-2-one?
The CAS number of 7-(Allyloxy)-4-methyl-2H-chromen-2-one is 52600-91-6.
What is the molecular formula of 7-(Allyloxy)-4-methyl-2H-chromen-2-one?
The molecular formula of 7-(Allyloxy)-4-methyl-2H-chromen-2-one is C13H12O3.
What is the molecular weight of 7-(Allyloxy)-4-methyl-2H-chromen-2-one?
The molecular weight of 7-(Allyloxy)-4-methyl-2H-chromen-2-one is 216.08 g/mol.
Where can I buy 7-(Allyloxy)-4-methyl-2H-chromen-2-one?
You can request a quote for 7-(Allyloxy)-4-methyl-2H-chromen-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-(Allyloxy)-4-methyl-2H-chromen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 7-(Allyloxy)-4-methyl-2H-chromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.