![2-(5-chloro-2-methylphenyl)-4-[(pyridin-2-ylmethylamino)methylidene]isoquinoline-1,3-dione structure](/static/products/896/896846-14-3.png)
2-(5-chloro-2-methylphenyl)-4-[(pyridin-2-ylmethylamino)methylidene]isoquinoline-1,3-dione
TL;DR: 2-(5-chloro-2-methylphenyl)-4-[(pyridin-2-ylmethylamino)methylidene]isoquinoline-1,3-dione (CAS 896846-14-3) is a chemical compound with molecular formula C23H18ClN3O2 and molecular weight 403.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-chloro-2-methylphenyl)-3-hydroxy-4-(pyridin-2-ylmethyliminomethyl)isoquinolin-1-one
Also Known As: 2-(5-chloro-2-methylphenyl)-4-[(pyridin-2-ylmethylamino)methylidene]isoquinoline-1,3-dione, (4E)-2-(5-chloro-2-methylphenyl)-4-[(pyridin-2-ylmethylamino)methylidene]isoquinoline-1,3-dione, (4E)-2-(5-chloro-2-methylphenyl)-4-{[(pyridin-2-ylmethyl)amino]methylidene}isoquinoline-1,3(2H,4H)-dione, (E)-2-(5-chloro-2-methylphenyl)-4-(((pyridin-2-ylmethyl)amino)methylene)isoquinoline-1,3(2H,4H)-dione, 2-(5-chloro-2-methyl-phenyl)-4-[(pyridin-2-ylmethylamino)methylidene]isoquinoline-1,3-dione
| Molecular Formula | C23H18ClN3O2 |
|---|---|
| Molecular Weight | 403.11 g/mol |
| LogP | 4.67222 |
| Topological Polar Surface Area | 67.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 403.10876 |
| Heavy Atoms | 29 |
| Complexity | 1280.789 |
Chemical Identifiers
| CAS Number | 896846-14-3 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)Cl)N2C(=C(C3=CC=CC=C3C2=O)C=NCC4=CC=CC=N4)O |
Product Overview
2-(5-chloro-2-methylphenyl)-4-[(pyridin-2-ylmethylamino)methylidene]isoquinoline-1,3-dione (CAS 896846-14-3), with molecular formula C23H18ClN3O2 and molecular weight 403.11 g/mol. IUPAC: 2-(5-chloro-2-methylphenyl)-3-hydroxy-4-(pyridin-2-ylmethyliminomethyl)isoquinolin-1-one.
Chemical Property Profile of 2-(5-chloro-2-methylphenyl)-4-[(pyridin-2-ylmethylamino)methylidene]isoquinoline-1,3-dione
Property Insights of 2-(5-chloro-2-methylphenyl)-4-[(pyridin-2-ylmethylamino)methylidene]isoquinoline-1,3-dione
The XLogP value of 4.67222 indicates that 2-(5-chloro-2-methylphenyl)-4-[(pyridin-2-ylmethylamino)methylidene]isoquinoline-1,3-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.48 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(5-chloro-2-methylphenyl)-4-[(pyridin-2-ylmethylamino)methylidene]isoquinoline-1,3-dione. Following Lipinski's Rule of Five, 2-(5-chloro-2-methylphenyl)-4-[(pyridin-2-ylmethylamino)methylidene]isoquinoline-1,3-dione has 1 hydrogen bond donor(s) and 4 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-(5-chloro-2-methylphenyl)-4-[(pyridin-2-ylmethylamino)methylidene]isoquinoline-1,3-dione?
The CAS number of 2-(5-chloro-2-methylphenyl)-4-[(pyridin-2-ylmethylamino)methylidene]isoquinoline-1,3-dione is 896846-14-3.
What is the molecular formula of 2-(5-chloro-2-methylphenyl)-4-[(pyridin-2-ylmethylamino)methylidene]isoquinoline-1,3-dione?
The molecular formula of 2-(5-chloro-2-methylphenyl)-4-[(pyridin-2-ylmethylamino)methylidene]isoquinoline-1,3-dione is C23H18ClN3O2.
What is the molecular weight of 2-(5-chloro-2-methylphenyl)-4-[(pyridin-2-ylmethylamino)methylidene]isoquinoline-1,3-dione?
The molecular weight of 2-(5-chloro-2-methylphenyl)-4-[(pyridin-2-ylmethylamino)methylidene]isoquinoline-1,3-dione is 403.11 g/mol.
Where can I buy 2-(5-chloro-2-methylphenyl)-4-[(pyridin-2-ylmethylamino)methylidene]isoquinoline-1,3-dione?
You can request a quote for 2-(5-chloro-2-methylphenyl)-4-[(pyridin-2-ylmethylamino)methylidene]isoquinoline-1,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(5-chloro-2-methylphenyl)-4-[(pyridin-2-ylmethylamino)methylidene]isoquinoline-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(5-chloro-2-methylphenyl)-4-[(pyridin-2-ylmethylamino)methylidene]isoquinoline-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.