RefChem:429332
TL;DR: RefChem:429332 (CAS 18791-01-0) 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-(4-amino-2-sulfoanilino)-9,10-dioxoanthracene-2-sulfonic acid
Also Known As: 1-Amino-4-(4-amino-2-sulphoanilino)-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid, 1-(2,5-Dimethoxy-phenyl)-2-nitro-prop-1-en, 1-amino-4-(4-amino-2-sulfoanilino)-9,10-dioxoanthracene-2-sulfonic acid, 1-amino-4-[(4-amino-2-sulfophenyl)amino]-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid, 1-Amino-4-(4-amino-2-sulfoanilino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid
| Molecular Formula | C20H15N3O8S2 |
|---|---|
| Molecular Weight | 489.03 g/mol |
| LogP | 1.6 |
| 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 | 18791-01-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=C(C=C(C=C4)N)S(=O)(=O)O)S(=O)(=O)O)N |
| InChIKey | TUYZCJKTGCNVOA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:429332 (CAS 18791-01-0), with molecular formula C20H15N3O8S2 and molecular weight 489.03 g/mol. IUPAC: 1-amino-4-(4-amino-2-sulfoanilino)-9,10-dioxoanthracene-2-sulfonic acid.
Chemical Property Profile of RefChem:429332
Property Insights of RefChem:429332
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:429332. The TPSA of 224.0 Ų indicates high polarity, suggesting RefChem:429332 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:429332 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 RefChem:429332?
The CAS number of RefChem:429332 is 18791-01-0.
What is the molecular formula of RefChem:429332?
The molecular formula of RefChem:429332 is C20H15N3O8S2.
What is the molecular weight of RefChem:429332?
The molecular weight of RefChem:429332 is 489.03 g/mol.
Where can I buy RefChem:429332?
You can request a quote for RefChem:429332 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:429332?
Yes, KEHONG BIO provides custom synthesis services for RefChem:429332 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.