3-(1,1-Dimethylallyl)scopoletin
TL;DR: 3-(1,1-Dimethylallyl)scopoletin (CAS 19723-23-0) is a chemical compound with molecular formula C15H16O4 and molecular weight 260.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-hydroxy-6-methoxy-3-(2-methylbut-3-en-2-yl)chromen-2-one
Also Known As: 3-(1,1-Dimethylallyl)scopoletin, 3-(1',1'-Dimethylallyl)scopoletin, 7-hydroxy-6-methoxy-3-(2-methylbut-3-en-2-yl)chromen-2-one, Coumarin, 3-(1,1-dimethylallyl)-7-hydroxy-6-methoxy-, 3-(1,1-Dimethyl-2-propenyl)-7-hydroxy-6-methoxy-2H-1-benzopyran-2-one
| Molecular Formula | C15H16O4 |
|---|---|
| Molecular Weight | 260.10 g/mol |
| LogP | 2.9708 |
| Topological Polar Surface Area | 59.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 260.10486 |
| Heavy Atoms | 19 |
| Complexity | 695.0932 |
Chemical Identifiers
| CAS Number | 19723-23-0 |
|---|---|
| SMILES | CC(C)(C=C)C1=CC2=CC(=C(C=C2OC1=O)O)OC |
Product Overview
3-(1,1-Dimethylallyl)scopoletin (CAS 19723-23-0), with molecular formula C15H16O4 and molecular weight 260.10 g/mol. IUPAC: 7-hydroxy-6-methoxy-3-(2-methylbut-3-en-2-yl)chromen-2-one.
Chemical Property Profile of 3-(1,1-Dimethylallyl)scopoletin
Property Insights of 3-(1,1-Dimethylallyl)scopoletin
The XLogP value of 2.9708 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1,1-Dimethylallyl)scopoletin. With a topological polar surface area (TPSA) of 59.67 Ų, 3-(1,1-Dimethylallyl)scopoletin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1,1-Dimethylallyl)scopoletin has 1 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 3-(1,1-Dimethylallyl)scopoletin?
The CAS number of 3-(1,1-Dimethylallyl)scopoletin is 19723-23-0.
What is the molecular formula of 3-(1,1-Dimethylallyl)scopoletin?
The molecular formula of 3-(1,1-Dimethylallyl)scopoletin is C15H16O4.
What is the molecular weight of 3-(1,1-Dimethylallyl)scopoletin?
The molecular weight of 3-(1,1-Dimethylallyl)scopoletin is 260.10 g/mol.
Where can I buy 3-(1,1-Dimethylallyl)scopoletin?
You can request a quote for 3-(1,1-Dimethylallyl)scopoletin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1,1-Dimethylallyl)scopoletin?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,1-Dimethylallyl)scopoletin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.