Irisolone
TL;DR: Irisolone (CAS 37853-09-1) is a chemical compound with molecular formula C17H12O6 and molecular weight 312.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(4-hydroxyphenyl)-9-methoxy-[1,3]dioxolo[4,5-g]chromen-8-one
Also Known As: Irisolone, Nigricin, sosan, 5-O-Methylirilone, IRISOLONE [MI]
| Molecular Formula | C17H12O6 |
|---|---|
| Molecular Weight | 312.06 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 74.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 312.0634 |
| Heavy Atoms | 23 |
| Complexity | 495.0 |
Chemical Identifiers
| CAS Number | 37853-09-1 |
|---|---|
| SMILES | COC1=C2C(=CC3=C1OCO3)OC=C(C2=O)C4=CC=C(C=C4)O |
| InChIKey | RSSZOUXCQUJNKL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Irisolone (CAS 37853-09-1), with molecular formula C17H12O6 and molecular weight 312.06 g/mol. IUPAC: 7-(4-hydroxyphenyl)-9-methoxy-[1,3]dioxolo[4,5-g]chromen-8-one.
Chemical Property Profile of Irisolone
Property Insights of Irisolone
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Irisolone. The TPSA of 74.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Irisolone. Following Lipinski's Rule of Five, Irisolone has 1 hydrogen bond donor(s) and 6 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 Irisolone?
The CAS number of Irisolone is 37853-09-1.
What is the molecular formula of Irisolone?
The molecular formula of Irisolone is C17H12O6.
What is the molecular weight of Irisolone?
The molecular weight of Irisolone is 312.06 g/mol.
Where can I buy Irisolone?
You can request a quote for Irisolone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Irisolone?
Yes, KEHONG BIO provides custom synthesis services for Irisolone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.