(E)-2-(3-chlorophenyl)-4-((methylamino)methylene)isoquinoline-1,3(2H,4H)-dione
TL;DR: (E)-2-(3-chlorophenyl)-4-((methylamino)methylene)isoquinoline-1,3(2H,4H)-dione (CAS 896858-71-2) is a chemical compound with molecular formula C17H13ClN2O2 and molecular weight 312.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-chlorophenyl)-3-hydroxy-4-(methyliminomethyl)isoquinolin-1-one
Also Known As: 2-(3-chlorophenyl)-4-(methylaminomethylidene)isoquinoline-1,3-dione, (E)-2-(3-chlorophenyl)-4-((methylamino)methylene)isoquinoline-1,3(2H,4H)-dione, (4E)-2-(3-chlorophenyl)-4-(methylaminomethylidene)isoquinoline-1,3-dione, (4E)-2-(3-chlorophenyl)-4-[(methylamino)methylidene]isoquinoline-1,3(2H,4H)-dione
| Molecular Formula | C17H13ClN2O2 |
|---|---|
| Molecular Weight | 312.07 g/mol |
| LogP | 3.3984 |
| Topological Polar Surface Area | 54.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 312.06656 |
| Heavy Atoms | 22 |
| Complexity | 945.03204 |
Chemical Identifiers
| CAS Number | 896858-71-2 |
|---|---|
| SMILES | CN=CC1=C(N(C(=O)C2=CC=CC=C21)C3=CC(=CC=C3)Cl)O |
Product Overview
(E)-2-(3-chlorophenyl)-4-((methylamino)methylene)isoquinoline-1,3(2H,4H)-dione (CAS 896858-71-2), with molecular formula C17H13ClN2O2 and molecular weight 312.07 g/mol. IUPAC: 2-(3-chlorophenyl)-3-hydroxy-4-(methyliminomethyl)isoquinolin-1-one.
Chemical Property Profile of (E)-2-(3-chlorophenyl)-4-((methylamino)methylene)isoquinoline-1,3(2H,4H)-dione
Property Insights of (E)-2-(3-chlorophenyl)-4-((methylamino)methylene)isoquinoline-1,3(2H,4H)-dione
The XLogP value of 3.3984 indicates that (E)-2-(3-chlorophenyl)-4-((methylamino)methylene)isoquinoline-1,3(2H,4H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.59 Ų, (E)-2-(3-chlorophenyl)-4-((methylamino)methylene)isoquinoline-1,3(2H,4H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-2-(3-chlorophenyl)-4-((methylamino)methylene)isoquinoline-1,3(2H,4H)-dione has 1 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 (E)-2-(3-chlorophenyl)-4-((methylamino)methylene)isoquinoline-1,3(2H,4H)-dione?
The CAS number of (E)-2-(3-chlorophenyl)-4-((methylamino)methylene)isoquinoline-1,3(2H,4H)-dione is 896858-71-2.
What is the molecular formula of (E)-2-(3-chlorophenyl)-4-((methylamino)methylene)isoquinoline-1,3(2H,4H)-dione?
The molecular formula of (E)-2-(3-chlorophenyl)-4-((methylamino)methylene)isoquinoline-1,3(2H,4H)-dione is C17H13ClN2O2.
What is the molecular weight of (E)-2-(3-chlorophenyl)-4-((methylamino)methylene)isoquinoline-1,3(2H,4H)-dione?
The molecular weight of (E)-2-(3-chlorophenyl)-4-((methylamino)methylene)isoquinoline-1,3(2H,4H)-dione is 312.07 g/mol.
Where can I buy (E)-2-(3-chlorophenyl)-4-((methylamino)methylene)isoquinoline-1,3(2H,4H)-dione?
You can request a quote for (E)-2-(3-chlorophenyl)-4-((methylamino)methylene)isoquinoline-1,3(2H,4H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-(3-chlorophenyl)-4-((methylamino)methylene)isoquinoline-1,3(2H,4H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-(3-chlorophenyl)-4-((methylamino)methylene)isoquinoline-1,3(2H,4H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.