RefChem:465356
TL;DR: RefChem:465356 (CAS 66736-54-7) is a chemical compound with molecular formula C22H17N3O6S and molecular weight 451.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-acetamidoanilino)-1-amino-9,10-dioxoanthracene-2-sulfonic acid
Also Known As: C.I.Basic Blue 324, 2-Anthracenesulfonic acid, 4-[[3-(acetylamino)phenyl]amino]-1-amino-9,10-dihydro-9,10-dioxo-, 2-Anthracenesulfonic acid, 4-((3-(acetylamino)phenyl)amino)-1-amino-9,10-dihydro-9,10-dioxo, 2-Anthracenesulfonic acid, 4-((3-(acetylamino)phenyl)amino)-1-amino-9,10-dihydro-9,10-dioxo-, 4-((3-(Acetylamino)phenyl)amino)-1-amino-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid
| Molecular Formula | C22H17N3O6S |
|---|---|
| Molecular Weight | 451.08 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 164.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 451.0838 |
| Heavy Atoms | 32 |
| Complexity | 871.0 |
Chemical Identifiers
| CAS Number | 66736-54-7 |
|---|---|
| SMILES | CC(=O)NC1=CC=CC(=C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O |
| InChIKey | TXLJHCHWQDGXMM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:465356 (CAS 66736-54-7), with molecular formula C22H17N3O6S and molecular weight 451.08 g/mol. IUPAC: 4-(3-acetamidoanilino)-1-amino-9,10-dioxoanthracene-2-sulfonic acid.
Chemical Property Profile of RefChem:465356
Property Insights of RefChem:465356
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:465356. The TPSA of 164.0 Ų indicates high polarity, suggesting RefChem:465356 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:465356 has 4 hydrogen bond donor(s) and 8 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 RefChem:465356?
The CAS number of RefChem:465356 is 66736-54-7.
What is the molecular formula of RefChem:465356?
The molecular formula of RefChem:465356 is C22H17N3O6S.
What is the molecular weight of RefChem:465356?
The molecular weight of RefChem:465356 is 451.08 g/mol.
Where can I buy RefChem:465356?
You can request a quote for RefChem:465356 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:465356?
Yes, KEHONG BIO provides custom synthesis services for RefChem:465356 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.