Isobergapten
TL;DR: Isobergapten (CAS 482-48-4) is a chemical compound with molecular formula C12H8O4 and molecular weight 216.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methoxyfuro[2,3-h]chromen-2-one
Also Known As: Isobergapten, Isobergaptene, 5-Methoxyangelicin, 5-Methoxy-2H-furo[2,3-H]chromen-2-one, ISO-BERGAPTEN
| Molecular Formula | C12H8O4 |
|---|---|
| Molecular Weight | 216.04 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 48.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 216.04225 |
| Heavy Atoms | 16 |
| Complexity | 325.0 |
Chemical Identifiers
| CAS Number | 482-48-4 |
|---|---|
| SMILES | COC1=C2C=CC(=O)OC2=C3C=COC3=C1 |
| InChIKey | AJSPSRWWZBBIOR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isobergapten (CAS 482-48-4), with molecular formula C12H8O4 and molecular weight 216.04 g/mol. IUPAC: 5-methoxyfuro[2,3-h]chromen-2-one.
Chemical Property Profile of Isobergapten
Property Insights of Isobergapten
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isobergapten. With a topological polar surface area (TPSA) of 48.7 Ų, Isobergapten exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isobergapten 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 Isobergapten?
The CAS number of Isobergapten is 482-48-4.
What is the molecular formula of Isobergapten?
The molecular formula of Isobergapten is C12H8O4.
What is the molecular weight of Isobergapten?
The molecular weight of Isobergapten is 216.04 g/mol.
Where can I buy Isobergapten?
You can request a quote for Isobergapten directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isobergapten?
Yes, KEHONG BIO provides custom synthesis services for Isobergapten and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.