Pedalitin
TL;DR: Pedalitin (CAS 22384-63-0) is a chemical compound with molecular formula C16H12O7 and molecular weight 316.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,4-dihydroxyphenyl)-5,6-dihydroxy-7-methoxychromen-4-one
Also Known As: Pedalitin, 3',4',5,6-Tetrahydroxy-7-methoxyflavone, 5,6,3',4'-Tetrahydroxy-7-methoxyflavone, FLAVONE, 3',4',5,6-TETRAHYDROXY-7-METHOXY-, 2-(3,4-dihydroxyphenyl)-5,6-dihydroxy-7-methoxychromen-4-one
| Molecular Formula | C16H12O7 |
|---|---|
| Molecular Weight | 316.06 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 316.0583 |
| Heavy Atoms | 23 |
| Complexity | 491.0 |
| Melting Point | 300 - 301 °C |
Chemical Identifiers
| CAS Number | 22384-63-0 |
|---|---|
| SMILES | COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC(=C(C=C3)O)O)O)O |
| InChIKey | QWUHUBDKQQPMQG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pedalitin (CAS 22384-63-0), with molecular formula C16H12O7 and molecular weight 316.06 g/mol. IUPAC: 2-(3,4-dihydroxyphenyl)-5,6-dihydroxy-7-methoxychromen-4-one.
Chemical Property Profile of Pedalitin
Property Insights of Pedalitin
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pedalitin. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Pedalitin. Following Lipinski's Rule of Five, Pedalitin has 4 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 Pedalitin?
The CAS number of Pedalitin is 22384-63-0.
What is the molecular formula of Pedalitin?
The molecular formula of Pedalitin is C16H12O7.
What is the molecular weight of Pedalitin?
The molecular weight of Pedalitin is 316.06 g/mol.
Where can I buy Pedalitin?
You can request a quote for Pedalitin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pedalitin?
Yes, KEHONG BIO provides custom synthesis services for Pedalitin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.