RefChem:1086997
TL;DR: RefChem:1086997 (CAS 57228-01-0) is a chemical compound with molecular formula C35H49ClN4O10 and molecular weight 720.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N-[1-(dipropylamino)-3-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1-oxopropan-2-yl]benzamide;2-hydroxypropane-1,2,3-tricarboxylic acid
Also Known As: CR 733, Hydrocinnamamide, alpha-((p-chlorobenzoyl)amino)-N,N-dipropyl-4-(2-(4-methyl-1-piperazinyl)ethoxy)-, citrate, (+-)-, O-(2'-(N''-Methylpiperazine)-N'-ethyl)-N-(p-chlorobenzoyl)-DL-tyrosyldi-n-propylamide citrate, 2-Hydroxypropane-1,2,3-tricarboxylic acid--Nalpha-(4-chlorobenzoyl)-O-[2-(4-methylpiperazin-1-yl)ethyl]-N,N-dipropyltyrosinamide (1/1), 4-chloro-N-[1-(dipropylamino)-3-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1-oxopropan-2-yl]benzamide; 2-hydroxypropane-1,2,3-tricarboxylic acid
| Molecular Formula | C35H49ClN4O10 |
|---|---|
| Molecular Weight | 720.31 g/mol |
| LogP | 2.71 |
| Topological Polar Surface Area | 197.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 18 |
| Exact Mass | 720.3137 |
| Heavy Atoms | 50 |
| Complexity | 893.0 |
Chemical Identifiers
| CAS Number | 57228-01-0 |
|---|---|
| SMILES | CCCN(CCC)C(=O)C(CC1=CC=C(C=C1)OCCN2CCN(CC2)C)NC(=O)C3=CC=C(C=C3)Cl.C(C(=O)O)C(CC(=O)O)(C(=O)O)O |
| InChIKey | VGVLFWGODCGJHX-UHFFFAOYSA-N |
Product Overview
RefChem:1086997 (CAS 57228-01-0), with molecular formula C35H49ClN4O10 and molecular weight 720.31 g/mol. IUPAC: 4-chloro-N-[1-(dipropylamino)-3-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1-oxopropan-2-yl]benzamide;2-hydroxypropane-1,2,3-tricarboxylic acid.
Chemical Property Profile of RefChem:1086997
Property Insights of RefChem:1086997
The XLogP value of 2.71 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1086997. The TPSA of 197.0 Ų indicates high polarity, suggesting RefChem:1086997 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1086997 has 5 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1086997?
The CAS number of RefChem:1086997 is 57228-01-0.
What is the molecular formula of RefChem:1086997?
The molecular formula of RefChem:1086997 is C35H49ClN4O10.
What is the molecular weight of RefChem:1086997?
The molecular weight of RefChem:1086997 is 720.31 g/mol.
Where can I buy RefChem:1086997?
You can request a quote for RefChem:1086997 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1086997?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1086997 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.