1-Amino-4-(3'-aminophenylamino)anthraquinone-2,4'-disulfonic acid
TL;DR: 1-Amino-4-(3'-aminophenylamino)anthraquinone-2,4'-disulfonic acid (CAS 128-99-4) is a chemical compound with molecular formula C20H15N3O8S2 and molecular weight 489.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-amino-4-(3-amino-4-sulfoanilino)-9,10-dioxoanthracene-2-sulfonic acid
Also Known As: 1-Amino-4-(3'-aminophenylamino)anthraquinone-2,4'-disulfonic acid, 2-Anthracenesulfonic acid, 1-amino-4-[(3-amino-4-sulfophenyl)amino]-9,10-dihydro-9,10-dioxo-, 1-amino-4-(3-amino-4-sulfoanilino)-9,10-dioxoanthracene-2-sulfonic acid, 1-Amino-4-(3-amino-4-sulphoanilino)-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid, 2-Anthracenesulfonic acid, 1-amino-4-((3-amino-4-sulfophenyl)amino)-9,10-dihydro-9,10-dioxo-
| Molecular Formula | C20H15N3O8S2 |
|---|---|
| Molecular Weight | 489.03 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 224.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 4 |
| Exact Mass | 489.03006 |
| Heavy Atoms | 33 |
| Complexity | 1010.0 |
Chemical Identifiers
| CAS Number | 128-99-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC(=C(C=C4)S(=O)(=O)O)N)S(=O)(=O)O)N |
| InChIKey | ZOHPJXCEVYGLJT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Amino-4-(3'-aminophenylamino)anthraquinone-2,4'-disulfonic acid (CAS 128-99-4), with molecular formula C20H15N3O8S2 and molecular weight 489.03 g/mol. IUPAC: 1-amino-4-(3-amino-4-sulfoanilino)-9,10-dioxoanthracene-2-sulfonic acid.
Chemical Property Profile of 1-Amino-4-(3'-aminophenylamino)anthraquinone-2,4'-disulfonic acid
Property Insights of 1-Amino-4-(3'-aminophenylamino)anthraquinone-2,4'-disulfonic acid
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Amino-4-(3'-aminophenylamino)anthraquinone-2,4'-disulfonic acid. The TPSA of 224.0 Ų indicates high polarity, suggesting 1-Amino-4-(3'-aminophenylamino)anthraquinone-2,4'-disulfonic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-Amino-4-(3'-aminophenylamino)anthraquinone-2,4'-disulfonic acid has 5 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Amino-4-(3'-aminophenylamino)anthraquinone-2,4'-disulfonic acid?
The CAS number of 1-Amino-4-(3'-aminophenylamino)anthraquinone-2,4'-disulfonic acid is 128-99-4.
What is the molecular formula of 1-Amino-4-(3'-aminophenylamino)anthraquinone-2,4'-disulfonic acid?
The molecular formula of 1-Amino-4-(3'-aminophenylamino)anthraquinone-2,4'-disulfonic acid is C20H15N3O8S2.
What is the molecular weight of 1-Amino-4-(3'-aminophenylamino)anthraquinone-2,4'-disulfonic acid?
The molecular weight of 1-Amino-4-(3'-aminophenylamino)anthraquinone-2,4'-disulfonic acid is 489.03 g/mol.
Where can I buy 1-Amino-4-(3'-aminophenylamino)anthraquinone-2,4'-disulfonic acid?
You can request a quote for 1-Amino-4-(3'-aminophenylamino)anthraquinone-2,4'-disulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Amino-4-(3'-aminophenylamino)anthraquinone-2,4'-disulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-Amino-4-(3'-aminophenylamino)anthraquinone-2,4'-disulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.