Isoscopoletin
TL;DR: Isoscopoletin (CAS 776-86-3) is a chemical compound with molecular formula C10H8O4 and molecular weight 192.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-hydroxy-7-methoxychromen-2-one
Also Known As: Isoscopoletin, 6-Hydroxy-7-methoxycoumarin, 7-Methoxyesculetin, 6-hydroxy-7-methoxy-2H-chromen-2-one, iso-scopoletin
| Molecular Formula | C10H8O4 |
|---|---|
| Molecular Weight | 192.04 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 192.04225 |
| Heavy Atoms | 14 |
| Complexity | 261.0 |
Chemical Identifiers
| CAS Number | 776-86-3 |
|---|---|
| SMILES | COC1=C(C=C2C=CC(=O)OC2=C1)O |
| InChIKey | SYTYLPHCLSSCOJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isoscopoletin (CAS 776-86-3), with molecular formula C10H8O4 and molecular weight 192.04 g/mol. IUPAC: 6-hydroxy-7-methoxychromen-2-one.
Chemical Property Profile of Isoscopoletin
Property Insights of Isoscopoletin
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoscopoletin. With a topological polar surface area (TPSA) of 55.8 Ų, Isoscopoletin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoscopoletin 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 Isoscopoletin?
The CAS number of Isoscopoletin is 776-86-3.
What is the molecular formula of Isoscopoletin?
The molecular formula of Isoscopoletin is C10H8O4.
What is the molecular weight of Isoscopoletin?
The molecular weight of Isoscopoletin is 192.04 g/mol.
Where can I buy Isoscopoletin?
You can request a quote for Isoscopoletin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoscopoletin?
Yes, KEHONG BIO provides custom synthesis services for Isoscopoletin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.