C23H26Cl2N4O3.2ClH.1/2H2O
TL;DR: C23H26Cl2N4O3.2ClH.1/2H2O (CAS 59180-52-8) is a chemical compound with molecular formula C23H28Cl4N4O3 and molecular weight 548.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-N-methyl-2-[[2-(4-methylpiperazin-1-yl)acetyl]amino]acetamide;dihydrochloride
Also Known As: C23H26Cl2N4O3.2ClH.1/2H2O, C23-H26-Cl2-N4-O3.2Cl-H.1/2H2-O, 1-Piperazineacetamide, N-(2-((4-chloro-2-(2-chlorobenzoyl)phenyl)methylamino)-2-oxoethyl)-4-methyl-, dihydrochloride, hydrate (2:4:1), N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-N-methyl-2-[[2-(4-methylpiperazin-1-yl)acetyl]amino]acetamide dihydrochloride, N-[4-Chloro-2-(2-chlorobenzoyl)phenyl]-N-methyl-N~2~-[(4-methylpiperazin-1-yl)acetyl]glycinamide--hydrogen chloride (1/2)
| Molecular Formula | C23H28Cl4N4O3 |
|---|---|
| Molecular Weight | 548.09 g/mol |
| LogP | 3.3944 |
| Topological Polar Surface Area | 72.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 548.09155 |
| Heavy Atoms | 34 |
| Complexity | 1013.4598 |
Chemical Identifiers
| CAS Number | 59180-52-8 |
|---|---|
| SMILES | CN1CCN(CC1)CC(=O)NCC(=O)N(C)C2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3Cl.Cl.Cl |
Product Overview
C23H26Cl2N4O3.2ClH.1/2H2O (CAS 59180-52-8), with molecular formula C23H28Cl4N4O3 and molecular weight 548.09 g/mol. IUPAC: N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-N-methyl-2-[[2-(4-methylpiperazin-1-yl)acetyl]amino]acetamide;dihydrochloride.
Chemical Property Profile of C23H26Cl2N4O3.2ClH.1/2H2O
Property Insights of C23H26Cl2N4O3.2ClH.1/2H2O
The XLogP value of 3.3944 indicates that C23H26Cl2N4O3.2ClH.1/2H2O is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.96 Ų falls within the moderate polarity range, balancing permeability and solubility for C23H26Cl2N4O3.2ClH.1/2H2O. Following Lipinski's Rule of Five, C23H26Cl2N4O3.2ClH.1/2H2O has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C23H26Cl2N4O3.2ClH.1/2H2O?
The CAS number of C23H26Cl2N4O3.2ClH.1/2H2O is 59180-52-8.
What is the molecular formula of C23H26Cl2N4O3.2ClH.1/2H2O?
The molecular formula of C23H26Cl2N4O3.2ClH.1/2H2O is C23H28Cl4N4O3.
What is the molecular weight of C23H26Cl2N4O3.2ClH.1/2H2O?
The molecular weight of C23H26Cl2N4O3.2ClH.1/2H2O is 548.09 g/mol.
Where can I buy C23H26Cl2N4O3.2ClH.1/2H2O?
You can request a quote for C23H26Cl2N4O3.2ClH.1/2H2O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C23H26Cl2N4O3.2ClH.1/2H2O?
Yes, KEHONG BIO provides custom synthesis services for C23H26Cl2N4O3.2ClH.1/2H2O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.