Nogalonic acid methyl ester
TL;DR: Nogalonic acid methyl ester (CAS 269058-82-4) is a chemical compound with molecular formula C21H16O8 and molecular weight 396.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[4,5-dihydroxy-9,10-dioxo-3-(3-oxobutanoyl)anthracen-2-yl]acetate
Also Known As: methyl nogalonate, Nogalonic acid methyl ester, NAME, Nogalonic acid methyl, J2.293.651D
| Molecular Formula | C21H16O8 |
|---|---|
| Molecular Weight | 396.08 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 135.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 396.0845 |
| Heavy Atoms | 29 |
| Complexity | 728.0 |
Chemical Identifiers
| CAS Number | 269058-82-4 |
|---|---|
| SMILES | CC(=O)CC(=O)C1=C(C2=C(C=C1CC(=O)OC)C(=O)C3=C(C2=O)C(=CC=C3)O)O |
| InChIKey | QBPKMZSXGLNWOB-UHFFFAOYSA-N |
Product Overview
Nogalonic acid methyl ester (CAS 269058-82-4), with molecular formula C21H16O8 and molecular weight 396.08 g/mol. IUPAC: methyl 2-[4,5-dihydroxy-9,10-dioxo-3-(3-oxobutanoyl)anthracen-2-yl]acetate.
Chemical Property Profile of Nogalonic acid methyl ester
Property Insights of Nogalonic acid methyl ester
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nogalonic acid methyl ester. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Nogalonic acid methyl ester. Following Lipinski's Rule of Five, Nogalonic acid methyl ester 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 Nogalonic acid methyl ester?
The CAS number of Nogalonic acid methyl ester is 269058-82-4.
What is the molecular formula of Nogalonic acid methyl ester?
The molecular formula of Nogalonic acid methyl ester is C21H16O8.
What is the molecular weight of Nogalonic acid methyl ester?
The molecular weight of Nogalonic acid methyl ester is 396.08 g/mol.
Where can I buy Nogalonic acid methyl ester?
You can request a quote for Nogalonic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nogalonic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Nogalonic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.