Myrsellinol
TL;DR: Myrsellinol (CAS 63187-30-4) is a chemical compound with molecular formula C19H24O5 and molecular weight 332.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(2,3-dihydroxy-3-methylbutoxy)-8-(3-methylbut-2-enyl)chromen-2-one
Also Known As: Myrsellinol, 7-(2,3-dihydroxy-3-methylbutoxy)-8-(3-methylbut-2-en-1-yl)-2h-chromen-2-one, 7-(2,3-dihydroxy-3-methylbutoxy)-8-(3-methylbut-2-enyl)chromen-2-one, 2H-1-Benzopyran-2-one, 7-(2,3-dihydroxy-3-methylbutoxy)-8-(3-methyl-2-butenyl)-, 7-(2,3-dihydroxy-3-methyl-butoxy)-8-(3-methylbut-2-enyl)chromen-2-one
| Molecular Formula | C19H24O5 |
|---|---|
| Molecular Weight | 332.16 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 76.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 332.16238 |
| Heavy Atoms | 24 |
| Complexity | 504.0 |
Chemical Identifiers
| CAS Number | 63187-30-4 |
|---|---|
| SMILES | CC(=CCC1=C(C=CC2=C1OC(=O)C=C2)OCC(C(C)(C)O)O)C |
| InChIKey | WCRIXDCUKSRGRM-UHFFFAOYSA-N |
Product Overview
Myrsellinol (CAS 63187-30-4), with molecular formula C19H24O5 and molecular weight 332.16 g/mol. IUPAC: 7-(2,3-dihydroxy-3-methylbutoxy)-8-(3-methylbut-2-enyl)chromen-2-one.
Chemical Property Profile of Myrsellinol
Property Insights of Myrsellinol
The XLogP value of 3.1 indicates that Myrsellinol 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 Myrsellinol. Following Lipinski's Rule of Five, Myrsellinol 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 Myrsellinol?
The CAS number of Myrsellinol is 63187-30-4.
What is the molecular formula of Myrsellinol?
The molecular formula of Myrsellinol is C19H24O5.
What is the molecular weight of Myrsellinol?
The molecular weight of Myrsellinol is 332.16 g/mol.
Where can I buy Myrsellinol?
You can request a quote for Myrsellinol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Myrsellinol?
Yes, KEHONG BIO provides custom synthesis services for Myrsellinol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.