RefChem:334145
TL;DR: RefChem:334145 (CAS 100857-77-0) is a chemical compound with molecular formula C32H35ClN4O2S and molecular weight 574.2169 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-[10-[3-(4-methylpiperazin-4-ium-1-yl)propyl]phenothiazin-2-yl]quinoline-4-carboxylate chloride
Also Known As: Cinchoninic acid, 2-(10-(3-(4-methyl-1-piperazinyl)propyl)-2-phenothiazinyl)-, ethyl ester, dihydrochloride, hydrate, Ethyl2-[10-[3-(4-methylpiperazin-4-ium-1-yl)propyl]phenothiazin-2-yl]quinoline-4-carboxylate chloride, CINCHONINIC ACID, 2-(10-(3-(4-METHYL-1-PIPERAZINYL)PROPYL)-2-PHENOTHIAZINYL)-, E, 4-(3-{2-[4-(ethoxycarbonyl)quinolin-2-yl]-10h-phenothiazin-10-yl}propyl)-1-methylpiperazin-1-ium chloride, ethyl 2-[10-[3-(4-methylpiperazin-4-ium-1-yl)propyl]phenothiazin-2-yl]quinoline-4-carboxylate chloride
Technical Specifications
| Molecular Formula | C32H35ClN4O2S |
| Molecular Weight | 574.2169 g/mol |
| XLogP | 1.91 |
| Topological Polar Surface Area (TPSA) | 75.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 574.2169 Da |
| Heavy Atoms | 40 |
| Complexity | 807.0 |
| SMILES | CCOC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC4=C(C=C3)SC5=CC=CC=C5N4CCCN6CC[NH+](CC6)C.[Cl-] |
| InChIKey | USGPAIYMZBMJGF-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:334145
Property Insights of RefChem:334145
The XLogP value of 1.91 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:334145. The TPSA of 75.4 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:334145. Following Lipinski's Rule of Five, RefChem:334145 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:334145?
The CAS number of RefChem:334145 is 100857-77-0.
What is the molecular formula of RefChem:334145?
The molecular formula of RefChem:334145 is C32H35ClN4O2S.
What is the molecular weight of RefChem:334145?
The molecular weight of RefChem:334145 is 574.2169 g/mol.
Where can I buy RefChem:334145?
You can request a quote for RefChem:334145 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:334145?
Yes, CoreyChem provides custom synthesis services for RefChem:334145 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.