7-Acetoxy-6-allyl-4,8-dimethylcoumarin
TL;DR: 7-Acetoxy-6-allyl-4,8-dimethylcoumarin (CAS 3993-45-1) is a chemical compound with molecular formula C16H16O4 and molecular weight 272.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4,8-dimethyl-2-oxo-6-prop-2-enylchromen-7-yl) acetate
Also Known As: Coumarin,8-dimethyl-, acetate, 6-Allyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl acetate, 7-ACETOXY-6-ALLYL-4,8-DIMETHYLCOUMARIN, Coumarin, 6-allyl-7-hydroxy-4,8-dimethyl-, acetate, 2H-1-Benzopyran-2-one, 7-(acetyloxy)-4,8-dimethyl-6-(2-propenyl)-
| Molecular Formula | C16H16O4 |
|---|---|
| Molecular Weight | 272.10 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 272.10486 |
| Heavy Atoms | 20 |
| Complexity | 451.0 |
Chemical Identifiers
| CAS Number | 3993-45-1 |
|---|---|
| SMILES | CC1=CC(=O)OC2=C1C=C(C(=C2C)OC(=O)C)CC=C |
| InChIKey | WPXKHUHUPSKNMM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
7-Acetoxy-6-allyl-4,8-dimethylcoumarin (CAS 3993-45-1), with molecular formula C16H16O4 and molecular weight 272.10 g/mol. IUPAC: (4,8-dimethyl-2-oxo-6-prop-2-enylchromen-7-yl) acetate.
Chemical Property Profile of 7-Acetoxy-6-allyl-4,8-dimethylcoumarin
Property Insights of 7-Acetoxy-6-allyl-4,8-dimethylcoumarin
The XLogP value of 3.0 indicates that 7-Acetoxy-6-allyl-4,8-dimethylcoumarin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 7-Acetoxy-6-allyl-4,8-dimethylcoumarin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Acetoxy-6-allyl-4,8-dimethylcoumarin has 0 hydrogen bond donor(s) and 4 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-Acetoxy-6-allyl-4,8-dimethylcoumarin?
The CAS number of 7-Acetoxy-6-allyl-4,8-dimethylcoumarin is 3993-45-1.
What is the molecular formula of 7-Acetoxy-6-allyl-4,8-dimethylcoumarin?
The molecular formula of 7-Acetoxy-6-allyl-4,8-dimethylcoumarin is C16H16O4.
What is the molecular weight of 7-Acetoxy-6-allyl-4,8-dimethylcoumarin?
The molecular weight of 7-Acetoxy-6-allyl-4,8-dimethylcoumarin is 272.10 g/mol.
Where can I buy 7-Acetoxy-6-allyl-4,8-dimethylcoumarin?
You can request a quote for 7-Acetoxy-6-allyl-4,8-dimethylcoumarin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Acetoxy-6-allyl-4,8-dimethylcoumarin?
Yes, KEHONG BIO provides custom synthesis services for 7-Acetoxy-6-allyl-4,8-dimethylcoumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.