TL;DR: RefChem:348264 (CAS 57228-15-6) is a chemical compound with molecular formula C38H55ClN4O10 and molecular weight 762.36066 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-chloro-N-[1-(dibutylamino)-3-[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-1-oxopropan-2-yl]benzamide;2-hydroxypropane-1,2,3-tricarboxylic acid
Also Known As: CR 731, Hydrocinnamamide, alpha-((o-chlorobenzoyl)amino)-N,N-dibutyl-4-(3-(4-methyl-1-piperazinyl)propoxy)-, citrate, (+-)-, O-(3-(N''-Methylpiperazine)-N'-propyl)-N-(o-chlorobenzoyl)-DL-tyrosyl-di-n-butylamide citrate, 2-chloro-N-[1-(dibutylamino)-3-[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-1-oxopropan-2-yl]benzamide; 2-hydroxypropane-1,2,3-tricarboxylic acid, 2-Hydroxypropane-1,2,3-tricarboxylic acid--2-chloro-N-[1-(dibutylamino)-3-{4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl}-1-oxopropan-2-yl]benzene-1-carboximidic acid (1/1)
| Molecular Formula | C38H55ClN4O10 |
| Molecular Weight | 762.36066 g/mol |
| XLogP | 3.88 |
| Topological Polar Surface Area (TPSA) | 197.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 21 |
| Exact Mass | 762.36066 Da |
| Heavy Atoms | 53 |
| Complexity | 944.0 |
| SMILES | CCCCN(CCCC)C(=O)C(CC1=CC=C(C=C1)OCCCN2CCN(CC2)C)NC(=O)C3=CC=CC=C3Cl.C(C(=O)O)C(CC(=O)O)(C(=O)O)O |
| InChIKey | WBRXRUGEXIERBE-UHFFFAOYSA-N |
The XLogP value of 3.88 indicates that RefChem:348264 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 197.0 Ų indicates high polarity, suggesting RefChem:348264 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:348264 has 5 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of RefChem:348264 is 57228-15-6.
The molecular formula of RefChem:348264 is C38H55ClN4O10.
The molecular weight of RefChem:348264 is 762.36066 g/mol.
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