Chaihunaphthone
TL;DR: Chaihunaphthone (CAS 6258-43-1) is a chemical compound with molecular formula C22H18O7 and molecular weight 394.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3-benzodioxol-5-yl)-5,6,7-trimethoxy-3H-benzo[f][2]benzofuran-1-one
Also Known As: Chaihunaphthone, 5-Methoxyretrojusticidin B, 4-(1,3-Benzodioxol-5-yl)-5,6,7-trimethoxynaphtho[2,3-c]furan-1(3H)-one, 4-(1,3-Benzodioxol-5-yl)-5,6,7-trimethoxynaphtho(2,3-c)furan-1(3H)-one, 4-(1,3-benzodioxol-5-yl)-5,6,7-trimethoxy-3H-benzo[f][2]benzofuran-1-one
| Molecular Formula | C22H18O7 |
|---|---|
| Molecular Weight | 394.11 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 72.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 394.10526 |
| Heavy Atoms | 29 |
| Complexity | 612.0 |
Chemical Identifiers
| CAS Number | 6258-43-1 |
|---|---|
| SMILES | COC1=CC2=CC3=C(COC3=O)C(=C2C(=C1OC)OC)C4=CC5=C(C=C4)OCO5 |
| InChIKey | GVORHOLLLQETHK-UHFFFAOYSA-N |
Product Overview
Chaihunaphthone (CAS 6258-43-1), with molecular formula C22H18O7 and molecular weight 394.11 g/mol. IUPAC: 4-(1,3-benzodioxol-5-yl)-5,6,7-trimethoxy-3H-benzo[f][2]benzofuran-1-one.
Chemical Property Profile of Chaihunaphthone
Property Insights of Chaihunaphthone
The XLogP value of 4.0 indicates that Chaihunaphthone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Chaihunaphthone. Following Lipinski's Rule of Five, Chaihunaphthone has 0 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 Chaihunaphthone?
The CAS number of Chaihunaphthone is 6258-43-1.
What is the molecular formula of Chaihunaphthone?
The molecular formula of Chaihunaphthone is C22H18O7.
What is the molecular weight of Chaihunaphthone?
The molecular weight of Chaihunaphthone is 394.11 g/mol.
Where can I buy Chaihunaphthone?
You can request a quote for Chaihunaphthone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chaihunaphthone?
Yes, KEHONG BIO provides custom synthesis services for Chaihunaphthone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.