Isoethuliacoumarin A
TL;DR: Isoethuliacoumarin A (CAS 76235-78-4) is a chemical compound with molecular formula C20H22O5 and molecular weight 342.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,4R)-4-ethenyl-2-hydroxy-2-(1-hydroxy-2-methylprop-2-enyl)-4,10-dimethyl-3H-pyrano[3,2-c]chromen-5-one
Also Known As: Isoethuliacoumarin A, 2H,5H-Pyrano(3,2-c)(1)benzopyran-5-one, 4-ethenyl-3,4-dihydro-2-hydroxy-2-(1-hydroxy-2-methyl-2-propenyl)-4,10-dimethyl-, (2S,4R)-, (2S,4R)-4-Ethenyl-2-hydroxy-2-(1-hydroxy-2-methylprop-2-en-1-yl)-4,10-dimethyl-3,4-dihydro-2H,5H-pyrano[3,2-c][1]benzopyran-5-one, (2S,4R)-4-ethenyl-2-hydroxy-2-(1-hydroxy-2-methylprop-2-enyl)-4,10-dimethyl-3H-pyrano[3,2-c]chromen-5-one, 4-Ethenyl-2-hydroxy-2-(1-hydroxy-2-methylprop-2-en-1-yl)-4,10-dimethyl-3,4-dihydro-2H,5H-pyrano[3,2-c][1]benzopyran-5-one
| Molecular Formula | C20H22O5 |
|---|---|
| Molecular Weight | 342.15 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 76.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 342.14673 |
| Heavy Atoms | 25 |
| Complexity | 650.0 |
Chemical Identifiers
| CAS Number | 76235-78-4 |
|---|---|
| SMILES | CC1=C2C(=CC=C1)OC(=O)C3=C2O[C@@](C[C@]3(C)C=C)(C(C(=C)C)O)O |
| InChIKey | LJPDNHJFYBWMCF-MFUMQWNRSA-N |
Product Overview
Isoethuliacoumarin A (CAS 76235-78-4), with molecular formula C20H22O5 and molecular weight 342.15 g/mol. IUPAC: (2S,4R)-4-ethenyl-2-hydroxy-2-(1-hydroxy-2-methylprop-2-enyl)-4,10-dimethyl-3H-pyrano[3,2-c]chromen-5-one.
Chemical Property Profile of Isoethuliacoumarin A
Property Insights of Isoethuliacoumarin A
The XLogP value of 3.4 indicates that Isoethuliacoumarin A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Isoethuliacoumarin A. Following Lipinski's Rule of Five, Isoethuliacoumarin A has 2 hydrogen bond donor(s) and 5 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 Isoethuliacoumarin A?
The CAS number of Isoethuliacoumarin A is 76235-78-4.
What is the molecular formula of Isoethuliacoumarin A?
The molecular formula of Isoethuliacoumarin A is C20H22O5.
What is the molecular weight of Isoethuliacoumarin A?
The molecular weight of Isoethuliacoumarin A is 342.15 g/mol.
Where can I buy Isoethuliacoumarin A?
You can request a quote for Isoethuliacoumarin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoethuliacoumarin A?
Yes, KEHONG BIO provides custom synthesis services for Isoethuliacoumarin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.