Pebrellin
TL;DR: Pebrellin (CAS 13509-93-8) is a chemical compound with molecular formula C19H18O8 and molecular weight 374.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,4-dimethoxyphenyl)-5,6-dihydroxy-7,8-dimethoxychromen-4-one
Also Known As: Pebrellin, Hymenoxin, 5,6-Dihydroxy-7,8,3',4'-tetramethoxyflavone, 5,6-Dihydroxy-3',4',7,8-tetramethoxyflavone, Flavone, 5,6-dihydroxy-3',4',7,8-tetramethoxy-
| Molecular Formula | C19H18O8 |
|---|---|
| Molecular Weight | 374.10 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 374.10016 |
| Heavy Atoms | 27 |
| Complexity | 564.0 |
Chemical Identifiers
| CAS Number | 13509-93-8 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C(=C(C(=C3O2)OC)OC)O)O)OC |
| InChIKey | AREVFHPDZQHBHI-UHFFFAOYSA-N |
Product Overview
Pebrellin (CAS 13509-93-8), with molecular formula C19H18O8 and molecular weight 374.10 g/mol. IUPAC: 2-(3,4-dimethoxyphenyl)-5,6-dihydroxy-7,8-dimethoxychromen-4-one.
Chemical Property Profile of Pebrellin
Property Insights of Pebrellin
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pebrellin. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Pebrellin. Following Lipinski's Rule of Five, Pebrellin has 2 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 Pebrellin?
The CAS number of Pebrellin is 13509-93-8.
What is the molecular formula of Pebrellin?
The molecular formula of Pebrellin is C19H18O8.
What is the molecular weight of Pebrellin?
The molecular weight of Pebrellin is 374.10 g/mol.
Where can I buy Pebrellin?
You can request a quote for Pebrellin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pebrellin?
Yes, KEHONG BIO provides custom synthesis services for Pebrellin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.