Quercetin 3-isobutyrate
TL;DR: Quercetin 3-isobutyrate (CAS 102607-66-9) is a chemical compound with molecular formula C19H16O8 and molecular weight 372.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl] 2-methylpropanoate
Also Known As: Quercetin 3-isobutyrate, Quercetin 3-isobutyric acid, [2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl] 2-methylpropanoate, (2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl) 2-methylpropanoate, RefChem:178092
| Molecular Formula | C19H16O8 |
|---|---|
| Molecular Weight | 372.08 g/mol |
| LogP | 2.8438 |
| Topological Polar Surface Area | 137.43 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 372.0845 |
| Heavy Atoms | 27 |
| Complexity | 1110.8733 |
Chemical Identifiers
| CAS Number | 102607-66-9 |
|---|---|
| SMILES | CC(C)C(=O)OC1=C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC(=C(C=C3)O)O |
Product Overview
Quercetin 3-isobutyrate (CAS 102607-66-9), with molecular formula C19H16O8 and molecular weight 372.08 g/mol. IUPAC: [2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl] 2-methylpropanoate.
Chemical Property Profile of Quercetin 3-isobutyrate
Property Insights of Quercetin 3-isobutyrate
The XLogP value of 2.8438 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Quercetin 3-isobutyrate. The TPSA of 137.43 Ų falls within the moderate polarity range, balancing permeability and solubility for Quercetin 3-isobutyrate. Following Lipinski's Rule of Five, Quercetin 3-isobutyrate has 4 hydrogen bond donor(s) and 8 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 Quercetin 3-isobutyrate?
The CAS number of Quercetin 3-isobutyrate is 102607-66-9.
What is the molecular formula of Quercetin 3-isobutyrate?
The molecular formula of Quercetin 3-isobutyrate is C19H16O8.
What is the molecular weight of Quercetin 3-isobutyrate?
The molecular weight of Quercetin 3-isobutyrate is 372.08 g/mol.
Where can I buy Quercetin 3-isobutyrate?
You can request a quote for Quercetin 3-isobutyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Quercetin 3-isobutyrate?
Yes, KEHONG BIO provides custom synthesis services for Quercetin 3-isobutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.