Methyl 9,10-dioxoanthracene-1-carboxylate
TL;DR: Methyl 9,10-dioxoanthracene-1-carboxylate (CAS 32114-46-8) is a chemical compound with molecular formula C16H10O4 and molecular weight 266.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 9,10-dioxoanthracene-1-carboxylate
Also Known As: methyl 9,10-dioxoanthracene-1-carboxylate, 1-Anthraquinonecarboxylic acid, methyl ester, BAS 00337077, 1-Anthraquinonecarboxylic acid methyl ester, methyl 9,10-dioxo-9,10-dihydroanthracene-1-carboxylate
| Molecular Formula | C16H10O4 |
|---|---|
| Molecular Weight | 266.06 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 60.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 266.05792 |
| Heavy Atoms | 20 |
| Complexity | 442.0 |
Chemical Identifiers
| CAS Number | 32114-46-8 |
|---|---|
| SMILES | COC(=O)C1=CC=CC2=C1C(=O)C3=CC=CC=C3C2=O |
| InChIKey | GWOXNNQRAJIJRH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 9,10-dioxoanthracene-1-carboxylate (CAS 32114-46-8), with molecular formula C16H10O4 and molecular weight 266.06 g/mol. IUPAC: methyl 9,10-dioxoanthracene-1-carboxylate.
Chemical Property Profile of Methyl 9,10-dioxoanthracene-1-carboxylate
Property Insights of Methyl 9,10-dioxoanthracene-1-carboxylate
The XLogP value of 3.2 indicates that Methyl 9,10-dioxoanthracene-1-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 9,10-dioxoanthracene-1-carboxylate. Following Lipinski's Rule of Five, Methyl 9,10-dioxoanthracene-1-carboxylate has 0 hydrogen bond donor(s) and 4 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 Methyl 9,10-dioxoanthracene-1-carboxylate?
The CAS number of Methyl 9,10-dioxoanthracene-1-carboxylate is 32114-46-8.
What is the molecular formula of Methyl 9,10-dioxoanthracene-1-carboxylate?
The molecular formula of Methyl 9,10-dioxoanthracene-1-carboxylate is C16H10O4.
What is the molecular weight of Methyl 9,10-dioxoanthracene-1-carboxylate?
The molecular weight of Methyl 9,10-dioxoanthracene-1-carboxylate is 266.06 g/mol.
Where can I buy Methyl 9,10-dioxoanthracene-1-carboxylate?
You can request a quote for Methyl 9,10-dioxoanthracene-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 9,10-dioxoanthracene-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 9,10-dioxoanthracene-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.