Phyllospadine
TL;DR: Phyllospadine (CAS 76540-48-2) is a chemical compound with molecular formula C21H21NO6 and molecular weight 383.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-8-(1-methylpyrrolidin-2-yl)chromen-4-one
Also Known As: Phyllospadine, J2.770.893E, 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-8-(1-methylpyrrolidin-2-yl)chromen-4-one, 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-8-(1-methylpyrrolidin-2-yl)-4H-1-benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-8-(1-methylpyrrolidin-2-yl)-4H-chromen-4-one
| Molecular Formula | C21H21NO6 |
|---|---|
| Molecular Weight | 383.14 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 99.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 383.1369 |
| Heavy Atoms | 28 |
| Complexity | 616.0 |
Chemical Identifiers
| CAS Number | 76540-48-2 |
|---|---|
| SMILES | CN1CCCC1C2=C3C(=C(C(=C2O)OC)O)C(=O)C=C(O3)C4=CC=C(C=C4)O |
| InChIKey | MHPSUMPGWBYSSV-UHFFFAOYSA-N |
Product Overview
Phyllospadine (CAS 76540-48-2), with molecular formula C21H21NO6 and molecular weight 383.14 g/mol. IUPAC: 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-8-(1-methylpyrrolidin-2-yl)chromen-4-one.
Chemical Property Profile of Phyllospadine
Property Insights of Phyllospadine
The XLogP value of 3.0 indicates that Phyllospadine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Phyllospadine. Following Lipinski's Rule of Five, Phyllospadine has 3 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 Phyllospadine?
The CAS number of Phyllospadine is 76540-48-2.
What is the molecular formula of Phyllospadine?
The molecular formula of Phyllospadine is C21H21NO6.
What is the molecular weight of Phyllospadine?
The molecular weight of Phyllospadine is 383.14 g/mol.
Where can I buy Phyllospadine?
You can request a quote for Phyllospadine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phyllospadine?
Yes, KEHONG BIO provides custom synthesis services for Phyllospadine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.