RefChem:465309
TL;DR: RefChem:465309 (CAS 4162-89-4) is a chemical compound with molecular formula C24H23N3O8S2 and molecular weight 545.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-amino-4-[3-(2-hydroxyethylsulfamoyl)-4,5-dimethylanilino]-9,10-dioxoanthracene-2-sulfonic acid
Also Known As: 2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-4-[[3-[[(2-hydroxyethyl)amino]sulfonyl]-4,5-dimethylphenyl]amino]-9,10-dioxo-, 1-(3,4-Dimethyl-5-sulfethanolamide anilino)-4-amino-3-anthraquinonesulfonic acid, 1-amino-4-({3-[(2-hydroxyethyl)sulfamoyl]-4,5-dimethylphenyl}amino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid, 2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-4-((3-(((2-hydroxyethyl)amino)sulfonyl)-4,5-dimethylphenyl)amino)-9,10-dioxo-, 1-amino-4-[3-(2-hydroxyethylsulfamoyl)-4,5-dimethylanilino]-9,10-dioxoanthracene-2-sulfonic acid
| Molecular Formula | C24H23N3O8S2 |
|---|---|
| Molecular Weight | 545.09 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 210.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 7 |
| Exact Mass | 545.09265 |
| Heavy Atoms | 37 |
| Complexity | 1090.0 |
Chemical Identifiers
| CAS Number | 4162-89-4 |
|---|---|
| SMILES | CC1=CC(=CC(=C1C)S(=O)(=O)NCCO)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O |
| InChIKey | SEXIHYPFEOARHF-UHFFFAOYSA-N |
Product Overview
RefChem:465309 (CAS 4162-89-4), with molecular formula C24H23N3O8S2 and molecular weight 545.09 g/mol. IUPAC: 1-amino-4-[3-(2-hydroxyethylsulfamoyl)-4,5-dimethylanilino]-9,10-dioxoanthracene-2-sulfonic acid.
Chemical Property Profile of RefChem:465309
Property Insights of RefChem:465309
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:465309. The TPSA of 210.0 Ų indicates high polarity, suggesting RefChem:465309 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:465309 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:465309?
The CAS number of RefChem:465309 is 4162-89-4.
What is the molecular formula of RefChem:465309?
The molecular formula of RefChem:465309 is C24H23N3O8S2.
What is the molecular weight of RefChem:465309?
The molecular weight of RefChem:465309 is 545.09 g/mol.
Where can I buy RefChem:465309?
You can request a quote for RefChem:465309 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:465309?
Yes, KEHONG BIO provides custom synthesis services for RefChem:465309 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.