1-(Methylamino)-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid
TL;DR: 1-(Methylamino)-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid (CAS 20897-45-4) is a chemical compound with molecular formula C16H11NO4 and molecular weight 281.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(methylamino)-9,10-dioxoanthracene-2-carboxylic acid
Also Known As: BAS 01121631, 1-(methylamino)-9,10-dioxoanthracene-2-carboxylic acid, 1-(methylamino)-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid, 1-(methylamino)-9,10-dioxo-9,10-dihydro-2-anthracenecarboxylic acid, 1-Methylamino-9,10-dioxo-9,10-dihydro-anthracene-2-carboxylic acid
| Molecular Formula | C16H11NO4 |
|---|---|
| Molecular Weight | 281.07 g/mol |
| LogP | 2.2019 |
| Topological Polar Surface Area | 83.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 281.06882 |
| Heavy Atoms | 21 |
| Complexity | 807.91943 |
Chemical Identifiers
| CAS Number | 20897-45-4 |
|---|---|
| SMILES | CNC1=C(C=CC2=C1C(=O)C3=CC=CC=C3C2=O)C(=O)O |
Product Overview
1-(Methylamino)-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid (CAS 20897-45-4), with molecular formula C16H11NO4 and molecular weight 281.07 g/mol. IUPAC: 1-(methylamino)-9,10-dioxoanthracene-2-carboxylic acid.
Chemical Property Profile of 1-(Methylamino)-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid
Property Insights of 1-(Methylamino)-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid
The XLogP value of 2.2019 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Methylamino)-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid. The TPSA of 83.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(Methylamino)-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid. Following Lipinski's Rule of Five, 1-(Methylamino)-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid has 2 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 1-(Methylamino)-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid?
The CAS number of 1-(Methylamino)-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid is 20897-45-4.
What is the molecular formula of 1-(Methylamino)-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid?
The molecular formula of 1-(Methylamino)-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid is C16H11NO4.
What is the molecular weight of 1-(Methylamino)-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid?
The molecular weight of 1-(Methylamino)-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid is 281.07 g/mol.
Where can I buy 1-(Methylamino)-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid?
You can request a quote for 1-(Methylamino)-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Methylamino)-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-(Methylamino)-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.