RefChem:77075
TL;DR: RefChem:77075 (CAS 16850-99-0) is a chemical compound with molecular formula C22H29N3O6S and molecular weight 463.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl sulfate;trimethyl-[3-[[4-(methylamino)-9,10-dioxoanthracen-1-yl]amino]propyl]azanium
Also Known As: 3-((4-(Methylamino)-1-anthraquinonyl)amino)-N,N,N-trimethylpropanaminium methyl sulfate, Trimethyl(3-((4-(methylamino)-1-anthraquinolyl)amino)propyl)ammonium methyl sulfate, 3-[[9,10-Dihydro-4-(methylamino)-9,10-dioxo-1-anthryl]aminopropyl]trimethylammonium methyl sulphate, (3-((4-Methylamino-9,10-anthracenedion-1-yl)amino)propyl)dimethylmethanaminium, methyl sulfate, 1-Propanaminium, 3-((9,10-dihydro-4-(methylamino)-9,10-dioxo-1-anthracenyl)amino)-N,N,N-trimethyl-, methyl sulfate
| Molecular Formula | C22H29N3O6S |
|---|---|
| Molecular Weight | 463.18 g/mol |
| LogP | 2.1049 |
| Topological Polar Surface Area | 133.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 463.1777 |
| Heavy Atoms | 32 |
| Complexity | 619.0 |
Chemical Identifiers
| CAS Number | 16850-99-0 |
|---|---|
| SMILES | CNC1=C2C(=C(C=C1)NCCC[N+](C)(C)C)C(=O)C3=CC=CC=C3C2=O.COS(=O)(=O)[O-] |
| InChIKey | WXRXAZZQRGZYSG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:77075 (CAS 16850-99-0), with molecular formula C22H29N3O6S and molecular weight 463.18 g/mol. IUPAC: methyl sulfate;trimethyl-[3-[[4-(methylamino)-9,10-dioxoanthracen-1-yl]amino]propyl]azanium.
Chemical Property Profile of RefChem:77075
Property Insights of RefChem:77075
The XLogP value of 2.1049 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:77075. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:77075. Following Lipinski's Rule of Five, RefChem:77075 has 2 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:77075?
The CAS number of RefChem:77075 is 16850-99-0.
What is the molecular formula of RefChem:77075?
The molecular formula of RefChem:77075 is C22H29N3O6S.
What is the molecular weight of RefChem:77075?
The molecular weight of RefChem:77075 is 463.18 g/mol.
Where can I buy RefChem:77075?
You can request a quote for RefChem:77075 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:77075?
Yes, KEHONG BIO provides custom synthesis services for RefChem:77075 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.