Methyl 1-amino-4-(p-toluidino)anthraquinone-2-carboxylate
TL;DR: Methyl 1-amino-4-(p-toluidino)anthraquinone-2-carboxylate (CAS 64862-95-9) is a chemical compound with molecular formula C23H18N2O4 and molecular weight 386.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-amino-4-(4-methylanilino)-9,10-dioxoanthracene-2-carboxylate
Also Known As: Methyl 1-amino-4-(p-toluidino)anthraquinone-2-carboxylate, 2-Anthracenecarboxylic acid, 1-amino-9,10-dihydro-4-[(4-methylphenyl)amino]-9,10-dioxo-, methyl ester, methyl 1-amino-4-(4-methylanilino)-9,10-dioxoanthracene-2-carboxylate, 2-Anthracenecarboxylic acid, 1-amino-9,10-dihydro-4-((4-methylphenyl)amino)-9,10-dioxo-, methyl ester, Methyl 1-amino-9,10-dihydro-4-((4-methylphenyl)amino)-9,10-dioxoanthracene-2-carboxylate
| Molecular Formula | C23H18N2O4 |
|---|---|
| Molecular Weight | 386.13 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 98.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 386.12665 |
| Heavy Atoms | 29 |
| Complexity | 657.0 |
Chemical Identifiers
| CAS Number | 64862-95-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC2=C3C(=C(C(=C2)C(=O)OC)N)C(=O)C4=CC=CC=C4C3=O |
| InChIKey | PGXKXIJWONSRRI-UHFFFAOYSA-N |
Product Overview
Methyl 1-amino-4-(p-toluidino)anthraquinone-2-carboxylate (CAS 64862-95-9), with molecular formula C23H18N2O4 and molecular weight 386.13 g/mol. IUPAC: methyl 1-amino-4-(4-methylanilino)-9,10-dioxoanthracene-2-carboxylate.
Chemical Property Profile of Methyl 1-amino-4-(p-toluidino)anthraquinone-2-carboxylate
Property Insights of Methyl 1-amino-4-(p-toluidino)anthraquinone-2-carboxylate
The XLogP value of 5.0 indicates that Methyl 1-amino-4-(p-toluidino)anthraquinone-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 1-amino-4-(p-toluidino)anthraquinone-2-carboxylate. Following Lipinski's Rule of Five, Methyl 1-amino-4-(p-toluidino)anthraquinone-2-carboxylate has 2 hydrogen bond donor(s) and 6 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 1-amino-4-(p-toluidino)anthraquinone-2-carboxylate?
The CAS number of Methyl 1-amino-4-(p-toluidino)anthraquinone-2-carboxylate is 64862-95-9.
What is the molecular formula of Methyl 1-amino-4-(p-toluidino)anthraquinone-2-carboxylate?
The molecular formula of Methyl 1-amino-4-(p-toluidino)anthraquinone-2-carboxylate is C23H18N2O4.
What is the molecular weight of Methyl 1-amino-4-(p-toluidino)anthraquinone-2-carboxylate?
The molecular weight of Methyl 1-amino-4-(p-toluidino)anthraquinone-2-carboxylate is 386.13 g/mol.
Where can I buy Methyl 1-amino-4-(p-toluidino)anthraquinone-2-carboxylate?
You can request a quote for Methyl 1-amino-4-(p-toluidino)anthraquinone-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 1-amino-4-(p-toluidino)anthraquinone-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 1-amino-4-(p-toluidino)anthraquinone-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.