RefChem:77074
TL;DR: RefChem:77074 (CAS 73003-66-4) is a chemical compound with molecular formula C21H26ClN3O2 and molecular weight 387.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trimethyl-[3-[[4-(methylamino)-9,10-dioxoanthracen-1-yl]amino]propyl]azanium chloride
Also Known As: 3-((4-(Methylamino)-1-anthraquinonyl)amino)-N,N,N-trimethylpropanaminium chloride, 2-Aethylmercapto-pyrimidin-4,5,6-triyltriamin, 1-Propanaminium, 3-((9,10-dihydro-4-(methylamino)-9,10-dioxo-1-anthracenyl)amino)-N,N,N-trimethyl-, chloride, 1-Propanaminium, 3-((9,10-dihydro-4-(methylamino)-9,10-dioxo-1-anthracenyl)amino)-N,N,N-trimethyl-, chloride (1:1), 1-Propanaminium, 3-[[9,10-dihydro-4-(methylamino)-9,10-dioxo-1-anthracenyl]amino]-N,N,N-trimethyl-, chloride
| Molecular Formula | C21H26ClN3O2 |
|---|---|
| Molecular Weight | 387.17 g/mol |
| LogP | 0.0159 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 387.17136 |
| Heavy Atoms | 27 |
| Complexity | 528.0 |
Chemical Identifiers
| CAS Number | 73003-66-4 |
|---|---|
| SMILES | CNC1=C2C(=C(C=C1)NCCC[N+](C)(C)C)C(=O)C3=CC=CC=C3C2=O.[Cl-] |
| InChIKey | XOJHEYHMPASXIS-UHFFFAOYSA-N |
Product Overview
RefChem:77074 (CAS 73003-66-4), with molecular formula C21H26ClN3O2 and molecular weight 387.17 g/mol. IUPAC: trimethyl-[3-[[4-(methylamino)-9,10-dioxoanthracen-1-yl]amino]propyl]azanium chloride.
Chemical Property Profile of RefChem:77074
Property Insights of RefChem:77074
The XLogP value of 0.0159 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:77074. With a topological polar surface area (TPSA) of 58.2 Ų, RefChem:77074 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:77074 has 2 hydrogen bond donor(s) and 5 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:77074?
The CAS number of RefChem:77074 is 73003-66-4.
What is the molecular formula of RefChem:77074?
The molecular formula of RefChem:77074 is C21H26ClN3O2.
What is the molecular weight of RefChem:77074?
The molecular weight of RefChem:77074 is 387.17 g/mol.
Where can I buy RefChem:77074?
You can request a quote for RefChem:77074 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:77074?
Yes, KEHONG BIO provides custom synthesis services for RefChem:77074 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.