Pyrrolo(4,3,2-de)isoquinoline, 1,3,4,5-tetrahydro-3-phenyl-, maleate
TL;DR: Pyrrolo(4,3,2-de)isoquinoline, 1,3,4,5-tetrahydro-3-phenyl-, maleate (CAS 53462-69-4) is a chemical compound with molecular formula C20H18N2O4 and molecular weight 350.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;5-phenyl-2,6-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene
Also Known As: 1,3,4,5-Tetrahydro-3-phenyl-pyrrolo(4,3,2-de)isoquinoline maleate, Pyrrolo(4,3,2-de)isoquinoline, 1,3,4,5-tetrahydro-3-phenyl-, maleate, RefChem:1097676
| Molecular Formula | C20H18N2O4 |
|---|---|
| Molecular Weight | 350.13 g/mol |
| LogP | 3.0723 |
| Topological Polar Surface Area | 102.42 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 350.12665 |
| Heavy Atoms | 26 |
| Complexity | 944.36145 |
Chemical Identifiers
| CAS Number | 53462-69-4 |
|---|---|
| SMILES | C1C2=C3C(=CC=C2)NC=C3C(N1)C4=CC=CC=C4.C(=C/C(=O)O)\C(=O)O |
Product Overview
Pyrrolo(4,3,2-de)isoquinoline, 1,3,4,5-tetrahydro-3-phenyl-, maleate (CAS 53462-69-4), with molecular formula C20H18N2O4 and molecular weight 350.13 g/mol. IUPAC: (E)-but-2-enedioic acid;5-phenyl-2,6-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene.
Chemical Property Profile of Pyrrolo(4,3,2-de)isoquinoline, 1,3,4,5-tetrahydro-3-phenyl-, maleate
Property Insights of Pyrrolo(4,3,2-de)isoquinoline, 1,3,4,5-tetrahydro-3-phenyl-, maleate
The XLogP value of 3.0723 indicates that Pyrrolo(4,3,2-de)isoquinoline, 1,3,4,5-tetrahydro-3-phenyl-, maleate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.42 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyrrolo(4,3,2-de)isoquinoline, 1,3,4,5-tetrahydro-3-phenyl-, maleate. Following Lipinski's Rule of Five, Pyrrolo(4,3,2-de)isoquinoline, 1,3,4,5-tetrahydro-3-phenyl-, maleate has 4 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 Pyrrolo(4,3,2-de)isoquinoline, 1,3,4,5-tetrahydro-3-phenyl-, maleate?
The CAS number of Pyrrolo(4,3,2-de)isoquinoline, 1,3,4,5-tetrahydro-3-phenyl-, maleate is 53462-69-4.
What is the molecular formula of Pyrrolo(4,3,2-de)isoquinoline, 1,3,4,5-tetrahydro-3-phenyl-, maleate?
The molecular formula of Pyrrolo(4,3,2-de)isoquinoline, 1,3,4,5-tetrahydro-3-phenyl-, maleate is C20H18N2O4.
What is the molecular weight of Pyrrolo(4,3,2-de)isoquinoline, 1,3,4,5-tetrahydro-3-phenyl-, maleate?
The molecular weight of Pyrrolo(4,3,2-de)isoquinoline, 1,3,4,5-tetrahydro-3-phenyl-, maleate is 350.13 g/mol.
Where can I buy Pyrrolo(4,3,2-de)isoquinoline, 1,3,4,5-tetrahydro-3-phenyl-, maleate?
You can request a quote for Pyrrolo(4,3,2-de)isoquinoline, 1,3,4,5-tetrahydro-3-phenyl-, maleate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrrolo(4,3,2-de)isoquinoline, 1,3,4,5-tetrahydro-3-phenyl-, maleate?
Yes, KEHONG BIO provides custom synthesis services for Pyrrolo(4,3,2-de)isoquinoline, 1,3,4,5-tetrahydro-3-phenyl-, maleate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.