Pyrrolo(4,3,2-de)isoquinoline, 1,3,4,5-tetrahydro-1-ethyl-, monohydrochloride
TL;DR: Pyrrolo(4,3,2-de)isoquinoline, 1,3,4,5-tetrahydro-1-ethyl-, monohydrochloride (CAS 53462-77-4) is a chemical compound with molecular formula C12H15ClN2 and molecular weight 222.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethyl-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-1-ethyl-, monohydrochloride, 1-Ethyl-1,3,4,5-tetrahydropyrrolo(4,3,2-de)isoquinoline hydrochloride, 1,3,4,5-Tetrahydro-1-ethyl-pyrrolo(4,3,2-de)isoquinoline hydrochloride, 1-Ethyl-1,3,4,5-tetrahydropyrrolo[4,3,2-de]isoquinoline--hydrogen chloride (1/1), RefChem:378317
| Molecular Formula | C12H15ClN2 |
|---|---|
| Molecular Weight | 222.09 g/mol |
| LogP | 2.6862 |
| Topological Polar Surface Area | 16.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 222.09238 |
| Heavy Atoms | 15 |
| Complexity | 487.57294 |
Chemical Identifiers
| CAS Number | 53462-77-4 |
|---|---|
| SMILES | CCN1C=C2CNCC3=C2C1=CC=C3.Cl |
Product Overview
Pyrrolo(4,3,2-de)isoquinoline, 1,3,4,5-tetrahydro-1-ethyl-, monohydrochloride (CAS 53462-77-4), with molecular formula C12H15ClN2 and molecular weight 222.09 g/mol. IUPAC: 2-ethyl-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-1-ethyl-, monohydrochloride
Property Insights of Pyrrolo(4,3,2-de)isoquinoline, 1,3,4,5-tetrahydro-1-ethyl-, monohydrochloride
The XLogP value of 2.6862 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrrolo(4,3,2-de)isoquinoline, 1,3,4,5-tetrahydro-1-ethyl-, monohydrochloride. With a topological polar surface area (TPSA) of 16.96 Ų, Pyrrolo(4,3,2-de)isoquinoline, 1,3,4,5-tetrahydro-1-ethyl-, 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-1-ethyl-, monohydrochloride 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 Pyrrolo(4,3,2-de)isoquinoline, 1,3,4,5-tetrahydro-1-ethyl-, monohydrochloride?
The CAS number of Pyrrolo(4,3,2-de)isoquinoline, 1,3,4,5-tetrahydro-1-ethyl-, monohydrochloride is 53462-77-4.
What is the molecular formula of Pyrrolo(4,3,2-de)isoquinoline, 1,3,4,5-tetrahydro-1-ethyl-, monohydrochloride?
The molecular formula of Pyrrolo(4,3,2-de)isoquinoline, 1,3,4,5-tetrahydro-1-ethyl-, monohydrochloride is C12H15ClN2.
What is the molecular weight of Pyrrolo(4,3,2-de)isoquinoline, 1,3,4,5-tetrahydro-1-ethyl-, monohydrochloride?
The molecular weight of Pyrrolo(4,3,2-de)isoquinoline, 1,3,4,5-tetrahydro-1-ethyl-, monohydrochloride is 222.09 g/mol.
Where can I buy Pyrrolo(4,3,2-de)isoquinoline, 1,3,4,5-tetrahydro-1-ethyl-, monohydrochloride?
You can request a quote for Pyrrolo(4,3,2-de)isoquinoline, 1,3,4,5-tetrahydro-1-ethyl-, 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-1-ethyl-, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Pyrrolo(4,3,2-de)isoquinoline, 1,3,4,5-tetrahydro-1-ethyl-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.