![2-methyl-4-[(4-phenylpiperazino)carbonyl]-1(2H)-isoquinolinone structure](/static/products/4406/440662-20-4.webp)
2-methyl-4-[(4-phenylpiperazino)carbonyl]-1(2H)-isoquinolinone
TL;DR: 2-methyl-4-[(4-phenylpiperazino)carbonyl]-1(2H)-isoquinolinone (CAS 440662-20-4) is a chemical compound with molecular formula C21H21N3O2 and molecular weight 347.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-4-(4-phenylpiperazine-1-carbonyl)isoquinolin-1-one
Also Known As: 2-methyl-4-(4-phenylpiperazine-1-carbonyl)isoquinolin-1-one, 2-methyl-4-(4-phenylpiperazine-1-carbonyl)isoquinolin-1(2H)-one, 2-methyl-4-[(4-phenylpiperazino)carbonyl]-1(2H)-isoquinolinone, 2-methyl-4-[(4-phenylpiperazin-1-yl)carbonyl]isoquinolin-1(2H)-one, 2-METHYL-4-(4-PHENYLPIPERAZINE-1-CARBONYL)-1,2-DIHYDROISOQUINOLIN-1-ONE
| Molecular Formula | C21H21N3O2 |
|---|---|
| Molecular Weight | 347.16 g/mol |
| LogP | 2.5009 |
| Topological Polar Surface Area | 45.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 347.1634 |
| Heavy Atoms | 26 |
| Complexity | 1002.68994 |
Chemical Identifiers
| CAS Number | 440662-20-4 |
|---|---|
| SMILES | CN1C=C(C2=CC=CC=C2C1=O)C(=O)N3CCN(CC3)C4=CC=CC=C4 |
Product Overview
2-methyl-4-[(4-phenylpiperazino)carbonyl]-1(2H)-isoquinolinone (CAS 440662-20-4), with molecular formula C21H21N3O2 and molecular weight 347.16 g/mol. IUPAC: 2-methyl-4-(4-phenylpiperazine-1-carbonyl)isoquinolin-1-one.
Chemical Property Profile of 2-methyl-4-[(4-phenylpiperazino)carbonyl]-1(2H)-isoquinolinone
Property Insights of 2-methyl-4-[(4-phenylpiperazino)carbonyl]-1(2H)-isoquinolinone
The XLogP value of 2.5009 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-methyl-4-[(4-phenylpiperazino)carbonyl]-1(2H)-isoquinolinone. With a topological polar surface area (TPSA) of 45.55 Ų, 2-methyl-4-[(4-phenylpiperazino)carbonyl]-1(2H)-isoquinolinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-methyl-4-[(4-phenylpiperazino)carbonyl]-1(2H)-isoquinolinone has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-methyl-4-[(4-phenylpiperazino)carbonyl]-1(2H)-isoquinolinone?
The CAS number of 2-methyl-4-[(4-phenylpiperazino)carbonyl]-1(2H)-isoquinolinone is 440662-20-4.
What is the molecular formula of 2-methyl-4-[(4-phenylpiperazino)carbonyl]-1(2H)-isoquinolinone?
The molecular formula of 2-methyl-4-[(4-phenylpiperazino)carbonyl]-1(2H)-isoquinolinone is C21H21N3O2.
What is the molecular weight of 2-methyl-4-[(4-phenylpiperazino)carbonyl]-1(2H)-isoquinolinone?
The molecular weight of 2-methyl-4-[(4-phenylpiperazino)carbonyl]-1(2H)-isoquinolinone is 347.16 g/mol.
Where can I buy 2-methyl-4-[(4-phenylpiperazino)carbonyl]-1(2H)-isoquinolinone?
You can request a quote for 2-methyl-4-[(4-phenylpiperazino)carbonyl]-1(2H)-isoquinolinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-methyl-4-[(4-phenylpiperazino)carbonyl]-1(2H)-isoquinolinone?
Yes, KEHONG BIO provides custom synthesis services for 2-methyl-4-[(4-phenylpiperazino)carbonyl]-1(2H)-isoquinolinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.