Peucedanocoumarin II
TL;DR: Peucedanocoumarin II (CAS 130464-56-1) is a chemical compound with molecular formula C21H22O7 and molecular weight 386.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(9S,10R)-9-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl] (Z)-2-methylbut-2-enoate
Also Known As: Peucedanocoumarin II, Pteryxin, HY-N8615, trans-3'-acetyl-4'-angeloylkhellactone, [(9S,10R)-9-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl] (Z)-2-methylbut-2-enoate
| Molecular Formula | C21H22O7 |
|---|---|
| Molecular Weight | 386.14 g/mol |
| LogP | 3.4462 |
| Topological Polar Surface Area | 92.04 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 386.13657 |
| Heavy Atoms | 28 |
| Complexity | 1028.7161 |
Chemical Identifiers
| CAS Number | 130464-56-1 |
|---|---|
| SMILES | C/C=C(/C)\C(=O)O[C@H]1[C@@H](C(OC2=C1C3=C(C=C2)C=CC(=O)O3)(C)C)OC(=O)C |
Product Overview
Peucedanocoumarin II (CAS 130464-56-1), with molecular formula C21H22O7 and molecular weight 386.14 g/mol. IUPAC: [(9S,10R)-9-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl] (Z)-2-methylbut-2-enoate.
Chemical Property Profile of Peucedanocoumarin II
Property Insights of Peucedanocoumarin II
The XLogP value of 3.4462 indicates that Peucedanocoumarin II is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.04 Ų falls within the moderate polarity range, balancing permeability and solubility for Peucedanocoumarin II. Following Lipinski's Rule of Five, Peucedanocoumarin II has 0 hydrogen bond donor(s) and 7 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 Peucedanocoumarin II?
The CAS number of Peucedanocoumarin II is 130464-56-1.
What is the molecular formula of Peucedanocoumarin II?
The molecular formula of Peucedanocoumarin II is C21H22O7.
What is the molecular weight of Peucedanocoumarin II?
The molecular weight of Peucedanocoumarin II is 386.14 g/mol.
Where can I buy Peucedanocoumarin II?
You can request a quote for Peucedanocoumarin II directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Peucedanocoumarin II?
Yes, KEHONG BIO provides custom synthesis services for Peucedanocoumarin II and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.