Crotarin
TL;DR: Crotarin (CAS 109517-69-3) is a chemical compound with molecular formula C20H16O6 and molecular weight 352.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,7-dihydroxy-3-(4-hydroxy-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-7-yl)chromen-4-one
Also Known As: Crotarin, 5,7-dihydroxy-3-(4-hydroxy-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-7-yl)chromen-4-one, 5,7-dihydroxy-3-(4-hydroxy-2-prop-1-en-2-yl-2,3-dihydrobenzofuran-7-yl)chromen-4-one, 5,7-Dihydroxy-3-[4-hydroxy-2-(prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-7-yl]-4H-1-benzopyran-4-one, RefChem:128538
| Molecular Formula | C20H16O6 |
|---|---|
| Molecular Weight | 352.09 g/mol |
| LogP | 3.4564 |
| Topological Polar Surface Area | 100.13 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 352.0947 |
| Heavy Atoms | 26 |
| Complexity | 1125.3301 |
Chemical Identifiers
| CAS Number | 109517-69-3 |
|---|---|
| SMILES | CC(=C)C1CC2=C(C=CC(=C2O1)C3=COC4=CC(=CC(=C4C3=O)O)O)O |
Product Overview
Crotarin (CAS 109517-69-3), with molecular formula C20H16O6 and molecular weight 352.09 g/mol. IUPAC: 5,7-dihydroxy-3-(4-hydroxy-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-7-yl)chromen-4-one.
Chemical Property Profile of Crotarin
Property Insights of Crotarin
The XLogP value of 3.4564 indicates that Crotarin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.13 Ų falls within the moderate polarity range, balancing permeability and solubility for Crotarin. Following Lipinski's Rule of Five, Crotarin has 3 hydrogen bond donor(s) and 6 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 Crotarin?
The CAS number of Crotarin is 109517-69-3.
What is the molecular formula of Crotarin?
The molecular formula of Crotarin is C20H16O6.
What is the molecular weight of Crotarin?
The molecular weight of Crotarin is 352.09 g/mol.
Where can I buy Crotarin?
You can request a quote for Crotarin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Crotarin?
Yes, KEHONG BIO provides custom synthesis services for Crotarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.