Phenyl 1-aminoanthraquinone-2-carboxylate
TL;DR: Phenyl 1-aminoanthraquinone-2-carboxylate (CAS 5959-02-4) is a chemical compound with molecular formula C21H13NO4 and molecular weight 343.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl 1-amino-9,10-dioxoanthracene-2-carboxylate
Also Known As: Phenyl 1-aminoanthraquinone-2-carboxylate, BAS 00337042, 1-Aminoanthraquinone-2-carboxylic acid, phenyl ester, 1-Aminoanthraquinone-2-carboxylic acid phenyl ester [MI], AB00075934-01
| Molecular Formula | C21H13NO4 |
|---|---|
| Molecular Weight | 343.08 g/mol |
| LogP | 3.2634 |
| Topological Polar Surface Area | 86.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 343.08447 |
| Heavy Atoms | 26 |
| Complexity | 1070.6241 |
Chemical Identifiers
| CAS Number | 5959-02-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC(=O)C2=C(C3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)N |
Product Overview
Phenyl 1-aminoanthraquinone-2-carboxylate (CAS 5959-02-4), with molecular formula C21H13NO4 and molecular weight 343.08 g/mol. IUPAC: phenyl 1-amino-9,10-dioxoanthracene-2-carboxylate.
Chemical Property Profile of Phenyl 1-aminoanthraquinone-2-carboxylate
Property Insights of Phenyl 1-aminoanthraquinone-2-carboxylate
The XLogP value of 3.2634 indicates that Phenyl 1-aminoanthraquinone-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.46 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenyl 1-aminoanthraquinone-2-carboxylate. Following Lipinski's Rule of Five, Phenyl 1-aminoanthraquinone-2-carboxylate has 1 hydrogen bond donor(s) and 5 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 Phenyl 1-aminoanthraquinone-2-carboxylate?
The CAS number of Phenyl 1-aminoanthraquinone-2-carboxylate is 5959-02-4.
What is the molecular formula of Phenyl 1-aminoanthraquinone-2-carboxylate?
The molecular formula of Phenyl 1-aminoanthraquinone-2-carboxylate is C21H13NO4.
What is the molecular weight of Phenyl 1-aminoanthraquinone-2-carboxylate?
The molecular weight of Phenyl 1-aminoanthraquinone-2-carboxylate is 343.08 g/mol.
Where can I buy Phenyl 1-aminoanthraquinone-2-carboxylate?
You can request a quote for Phenyl 1-aminoanthraquinone-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenyl 1-aminoanthraquinone-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Phenyl 1-aminoanthraquinone-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.