Knipholone
TL;DR: Knipholone (CAS 94450-08-5) is a chemical compound with molecular formula C24H18O8 and molecular weight 434.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-acetyl-2,6-dihydroxy-4-methoxyphenyl)-4,5-dihydroxy-2-methylanthracene-9,10-dione
Also Known As: Knipholone, (+)-M-knipholone, 1-(3-acetyl-2,6-dihydroxy-4-methoxyphenyl)-4,5-dihydroxy-2-methylanthracene-9,10-dione, AI-899/21033027, 1-(3-acetyl-2,6-dihydroxy-4-methoxyphenyl)-4,6-dihydroxy-2-methylanthracene-9,10-dione
| Molecular Formula | C24H18O8 |
|---|---|
| Molecular Weight | 434.10 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 141.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 434.10016 |
| Heavy Atoms | 32 |
| Complexity | 767.0 |
Chemical Identifiers
| CAS Number | 94450-08-5 |
|---|---|
| SMILES | CC1=CC(=C2C(=C1C3=C(C(=C(C=C3O)OC)C(=O)C)O)C(=O)C4=C(C2=O)C(=CC=C4)O)O |
| InChIKey | DUENHQWYLVQDQK-UHFFFAOYSA-N |
Product Overview
Knipholone (CAS 94450-08-5), with molecular formula C24H18O8 and molecular weight 434.10 g/mol. IUPAC: 1-(3-acetyl-2,6-dihydroxy-4-methoxyphenyl)-4,5-dihydroxy-2-methylanthracene-9,10-dione.
Chemical Property Profile of Knipholone
Property Insights of Knipholone
The XLogP value of 4.2 indicates that Knipholone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 141.0 Ų indicates high polarity, suggesting Knipholone may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Knipholone has 4 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 Knipholone?
The CAS number of Knipholone is 94450-08-5.
What is the molecular formula of Knipholone?
The molecular formula of Knipholone is C24H18O8.
What is the molecular weight of Knipholone?
The molecular weight of Knipholone is 434.10 g/mol.
Where can I buy Knipholone?
You can request a quote for Knipholone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Knipholone?
Yes, KEHONG BIO provides custom synthesis services for Knipholone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.