RefChem:465350
TL;DR: RefChem:465350 (CAS 31353-92-1) is a chemical compound with molecular formula C41H28N4O10S2 and molecular weight 800.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-amino-4-[4-[[4-[(4-amino-9,10-dioxo-3-sulfoanthracen-1-yl)amino]phenyl]methyl]anilino]-9,10-dioxoanthracene-2-sulfonic acid
Also Known As: 2-Anthracenesulfonic acid, 4,4'-[methylenebis(4,1-phenyleneimino)]bis[1-amino-9,10-dihydro-9,10-dioxo-, Methane, bis(4-(4-amino-3-sulfo-1-anthraquinonylamino)phenyl)-, disodium salt, 2-Anthracenesulfonic acid, 4,4'-(methylenebis(4,1-phenyleneimino))bis(1-amino-9,10-dihydro-9,10-dioxo-, 4,4'-[methylenebis(4,1-phenyleneimino)]bis(1-amino-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid), 2-Anthraquinonesulfonic acid, 4,4'-[methylenebis(p-phenyleneimino)]bis[1-amino-
| Molecular Formula | C41H28N4O10S2 |
|---|---|
| Molecular Weight | 800.12 g/mol |
| LogP | 7.2 |
| Topological Polar Surface Area | 270.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 8 |
| Exact Mass | 800.1247 |
| Heavy Atoms | 57 |
| Complexity | 1660.0 |
Chemical Identifiers
| CAS Number | 31353-92-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC=C(C=C4)CC5=CC=C(C=C5)NC6=CC(=C(C7=C6C(=O)C8=CC=CC=C8C7=O)N)S(=O)(=O)O)S(=O)(=O)O)N |
| InChIKey | FXFJDZPYMDXPPM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:465350 (CAS 31353-92-1), with molecular formula C41H28N4O10S2 and molecular weight 800.12 g/mol. IUPAC: 1-amino-4-[4-[[4-[(4-amino-9,10-dioxo-3-sulfoanthracen-1-yl)amino]phenyl]methyl]anilino]-9,10-dioxoanthracene-2-sulfonic acid.
Chemical Property Profile of RefChem:465350
Property Insights of RefChem:465350
The XLogP value of 7.2 indicates that RefChem:465350 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 270.0 Ų indicates high polarity, suggesting RefChem:465350 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:465350 has 6 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:465350?
The CAS number of RefChem:465350 is 31353-92-1.
What is the molecular formula of RefChem:465350?
The molecular formula of RefChem:465350 is C41H28N4O10S2.
What is the molecular weight of RefChem:465350?
The molecular weight of RefChem:465350 is 800.12 g/mol.
Where can I buy RefChem:465350?
You can request a quote for RefChem:465350 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:465350?
Yes, KEHONG BIO provides custom synthesis services for RefChem:465350 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.