Pyrrolo(4,3,2-de)isoquinoline, 1,3,4,5-tetrahydro-4-ethyl-1-methyl-, monohydrochloride
TL;DR: Pyrrolo(4,3,2-de)isoquinoline, 1,3,4,5-tetrahydro-4-ethyl-1-methyl-, monohydrochloride (CAS 53463-05-1) is a chemical compound with molecular formula C13H17ClN2 and molecular weight 236.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-ethyl-2-methyl-2,6-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene;hydrochloride
Also Known As: Pyrrolo(4,3,2-de)isoquinoline, 1,3,4,5-tetrahydro-4-ethyl-1-methyl-, monohydrochloride, 4-Ethyl-1-methyl-1,3,4,5-tetrahydropyrrolo(4,3,2-de)isoquinoline hydrochloride, 1,3,4,5-Tetrahydro-4-ethyl-1-methyl-pyrrolo(4,3,2-de)isoquinoline hydrochloride, 4-Ethyl-1-methyl-1,3,4,5-tetrahydropyrrolo[4,3,2-de]isoquinoline--hydrogen chloride (1/1), RefChem:378321
| Molecular Formula | C13H17ClN2 |
|---|---|
| Molecular Weight | 236.11 g/mol |
| LogP | 2.9356 |
| Topological Polar Surface Area | 8.17 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 236.10803 |
| Heavy Atoms | 16 |
| Complexity | 515.87213 |
Chemical Identifiers
| CAS Number | 53463-05-1 |
|---|---|
| SMILES | CCN1CC2=C3C(=CN(C3=CC=C2)C)C1.Cl |
Product Overview
Pyrrolo(4,3,2-de)isoquinoline, 1,3,4,5-tetrahydro-4-ethyl-1-methyl-, monohydrochloride (CAS 53463-05-1), with molecular formula C13H17ClN2 and molecular weight 236.11 g/mol. IUPAC: 6-ethyl-2-methyl-2,6-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene;hydrochloride.
Chemical Property Profile of Pyrrolo(4,3,2-de)isoquinoline, 1,3,4,5-tetrahydro-4-ethyl-1-methyl-, monohydrochloride
Property Insights of Pyrrolo(4,3,2-de)isoquinoline, 1,3,4,5-tetrahydro-4-ethyl-1-methyl-, monohydrochloride
The XLogP value of 2.9356 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrrolo(4,3,2-de)isoquinoline, 1,3,4,5-tetrahydro-4-ethyl-1-methyl-, monohydrochloride. With a topological polar surface area (TPSA) of 8.17 Ų, Pyrrolo(4,3,2-de)isoquinoline, 1,3,4,5-tetrahydro-4-ethyl-1-methyl-, monohydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrrolo(4,3,2-de)isoquinoline, 1,3,4,5-tetrahydro-4-ethyl-1-methyl-, monohydrochloride has 0 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 Pyrrolo(4,3,2-de)isoquinoline, 1,3,4,5-tetrahydro-4-ethyl-1-methyl-, monohydrochloride?
The CAS number of Pyrrolo(4,3,2-de)isoquinoline, 1,3,4,5-tetrahydro-4-ethyl-1-methyl-, monohydrochloride is 53463-05-1.
What is the molecular formula of Pyrrolo(4,3,2-de)isoquinoline, 1,3,4,5-tetrahydro-4-ethyl-1-methyl-, monohydrochloride?
The molecular formula of Pyrrolo(4,3,2-de)isoquinoline, 1,3,4,5-tetrahydro-4-ethyl-1-methyl-, monohydrochloride is C13H17ClN2.
What is the molecular weight of Pyrrolo(4,3,2-de)isoquinoline, 1,3,4,5-tetrahydro-4-ethyl-1-methyl-, monohydrochloride?
The molecular weight of Pyrrolo(4,3,2-de)isoquinoline, 1,3,4,5-tetrahydro-4-ethyl-1-methyl-, monohydrochloride is 236.11 g/mol.
Where can I buy Pyrrolo(4,3,2-de)isoquinoline, 1,3,4,5-tetrahydro-4-ethyl-1-methyl-, monohydrochloride?
You can request a quote for Pyrrolo(4,3,2-de)isoquinoline, 1,3,4,5-tetrahydro-4-ethyl-1-methyl-, monohydrochloride 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-4-ethyl-1-methyl-, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Pyrrolo(4,3,2-de)isoquinoline, 1,3,4,5-tetrahydro-4-ethyl-1-methyl-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.