![4-Ethyl-1,3,4,5-tetrahydropyrrolo[4,3,2-de] isoquinoline structure](/static/products/534/53462-99-0.png)
4-Ethyl-1,3,4,5-tetrahydropyrrolo[4,3,2-de] isoquinoline
TL;DR: 4-Ethyl-1,3,4,5-tetrahydropyrrolo[4,3,2-de] isoquinoline (CAS 53462-99-0) is a chemical compound with molecular formula C12H14N2 and molecular weight 186.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-ethyl-2,6-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene
Also Known As: Pyrrolo[4,3,2-de]isoquinoline, 4-ethyl-1,3,4,5-tetrahydro-, 4-Ethyl-1,3,4,5-tetrahydropyrrolo[4,3,2-de] isoquinoline
| Molecular Formula | C12H14N2 |
|---|---|
| Molecular Weight | 186.12 g/mol |
| LogP | 2.5034 |
| Topological Polar Surface Area | 19.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 186.11569 |
| Heavy Atoms | 14 |
| Complexity | 470.1265 |
Chemical Identifiers
| CAS Number | 53462-99-0 |
|---|---|
| SMILES | CCN1CC2=C3C(=CNC3=CC=C2)C1 |
Product Overview
4-Ethyl-1,3,4,5-tetrahydropyrrolo[4,3,2-de] isoquinoline (CAS 53462-99-0), with molecular formula C12H14N2 and molecular weight 186.12 g/mol. IUPAC: 6-ethyl-2,6-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene.
Chemical Property Profile of 4-Ethyl-1,3,4,5-tetrahydropyrrolo[4,3,2-de] isoquinoline
Property Insights of 4-Ethyl-1,3,4,5-tetrahydropyrrolo[4,3,2-de] isoquinoline
The XLogP value of 2.5034 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Ethyl-1,3,4,5-tetrahydropyrrolo[4,3,2-de] isoquinoline. With a topological polar surface area (TPSA) of 19.03 Ų, 4-Ethyl-1,3,4,5-tetrahydropyrrolo[4,3,2-de] isoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Ethyl-1,3,4,5-tetrahydropyrrolo[4,3,2-de] isoquinoline has 1 hydrogen bond donor(s) and 1 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 4-Ethyl-1,3,4,5-tetrahydropyrrolo[4,3,2-de] isoquinoline?
The CAS number of 4-Ethyl-1,3,4,5-tetrahydropyrrolo[4,3,2-de] isoquinoline is 53462-99-0.
What is the molecular formula of 4-Ethyl-1,3,4,5-tetrahydropyrrolo[4,3,2-de] isoquinoline?
The molecular formula of 4-Ethyl-1,3,4,5-tetrahydropyrrolo[4,3,2-de] isoquinoline is C12H14N2.
What is the molecular weight of 4-Ethyl-1,3,4,5-tetrahydropyrrolo[4,3,2-de] isoquinoline?
The molecular weight of 4-Ethyl-1,3,4,5-tetrahydropyrrolo[4,3,2-de] isoquinoline is 186.12 g/mol.
Where can I buy 4-Ethyl-1,3,4,5-tetrahydropyrrolo[4,3,2-de] isoquinoline?
You can request a quote for 4-Ethyl-1,3,4,5-tetrahydropyrrolo[4,3,2-de] isoquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Ethyl-1,3,4,5-tetrahydropyrrolo[4,3,2-de] isoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 4-Ethyl-1,3,4,5-tetrahydropyrrolo[4,3,2-de] isoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.