Cyclocumarol
TL;DR: Cyclocumarol (CAS 518-20-7) is a chemical compound with molecular formula C20H18O4 and molecular weight 322.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methoxy-2-methyl-4-phenyl-3,4-dihydropyrano[3,2-c]chromen-5-one
Also Known As: Pyranocoumarin, Cyclocoumarol, CYCLOCUMAROL, Cumopyran, Methanopyranorin
| Molecular Formula | C20H18O4 |
|---|---|
| Molecular Weight | 322.12 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 322.1205 |
| Heavy Atoms | 24 |
| Complexity | 534.0 |
Chemical Identifiers
| CAS Number | 518-20-7 |
|---|---|
| SMILES | CC1(CC(C2=C(O1)C3=CC=CC=C3OC2=O)C4=CC=CC=C4)OC |
| InChIKey | ZGFASEKBKWVCGP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cyclocumarol (CAS 518-20-7), with molecular formula C20H18O4 and molecular weight 322.12 g/mol. IUPAC: 2-methoxy-2-methyl-4-phenyl-3,4-dihydropyrano[3,2-c]chromen-5-one.
Chemical Property Profile of Cyclocumarol
Property Insights of Cyclocumarol
The XLogP value of 3.7 indicates that Cyclocumarol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.8 Ų, Cyclocumarol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclocumarol 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 Cyclocumarol?
The CAS number of Cyclocumarol is 518-20-7.
What is the molecular formula of Cyclocumarol?
The molecular formula of Cyclocumarol is C20H18O4.
What is the molecular weight of Cyclocumarol?
The molecular weight of Cyclocumarol is 322.12 g/mol.
Where can I buy Cyclocumarol?
You can request a quote for Cyclocumarol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclocumarol?
Yes, KEHONG BIO provides custom synthesis services for Cyclocumarol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.