NIP520
TL;DR: NIP520 (CAS 161831-35-2) is a chemical compound with molecular formula C25H29Cl2N5O4 and molecular weight 533.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[3-[2-(4-benzylpiperazin-1-yl)-2-oxoethoxy]-4-methoxyphenyl]methylamino]-5-chloro-1H-pyridazin-6-one;hydrochloride
Also Known As: NIP520, 3(2H)-Pyridazinone, 4-chloro-5-(((4-methoxy-3-(2-oxo-2-(4-(phenylmethyl)-1-piperazinyl)ethoxy)phenyl)methyl)amino)-, hydrochloride (1:1), 5-(((3-(2-(4-Benzylpiperazin-1-yl)-2-oxoethoxy)-4-methoxyphenyl)methyl)amino)-4-chloro-2,3-dihydropyridazin-3-one hydrochloride, Piperazine, 1-((5-(((5-chloro-1,6-dihydro-6-oxo-4-pyridazinyl)amino)methyl)-2-methoxyphenoxy)acetyl)-4-(phenylmethyl)-, monohydrochloride
| Molecular Formula | C25H29Cl2N5O4 |
|---|---|
| Molecular Weight | 533.16 g/mol |
| LogP | 3.189 |
| Topological Polar Surface Area | 99.79 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 533.15967 |
| Heavy Atoms | 36 |
| Complexity | 1200.554 |
Chemical Identifiers
| CAS Number | 161831-35-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CNC2=C(C(=O)NN=C2)Cl)OCC(=O)N3CCN(CC3)CC4=CC=CC=C4.Cl |
Product Overview
NIP520 (CAS 161831-35-2), with molecular formula C25H29Cl2N5O4 and molecular weight 533.16 g/mol. IUPAC: 4-[[3-[2-(4-benzylpiperazin-1-yl)-2-oxoethoxy]-4-methoxyphenyl]methylamino]-5-chloro-1H-pyridazin-6-one;hydrochloride.
Chemical Property Profile of NIP520
Property Insights of NIP520
The XLogP value of 3.189 indicates that NIP520 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.79 Ų falls within the moderate polarity range, balancing permeability and solubility for NIP520. Following Lipinski's Rule of Five, NIP520 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of NIP520?
The CAS number of NIP520 is 161831-35-2.
What is the molecular formula of NIP520?
The molecular formula of NIP520 is C25H29Cl2N5O4.
What is the molecular weight of NIP520?
The molecular weight of NIP520 is 533.16 g/mol.
Where can I buy NIP520?
You can request a quote for NIP520 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NIP520?
Yes, KEHONG BIO provides custom synthesis services for NIP520 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.