![1,3,4,5-Tetrahydropyrrolo[4,3,2-de]isoquinoline structure](/static/products/532/53269-34-4.png)
1,3,4,5-Tetrahydropyrrolo[4,3,2-de]isoquinoline
TL;DR: 1,3,4,5-Tetrahydropyrrolo[4,3,2-de]isoquinoline (CAS 53269-34-4) is a chemical compound with molecular formula C10H10N2 and molecular weight 158.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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, 1,3,4,5-tetrahydro-, 1,3,4,5-tetrahydropyrrolo[4,3,2-de]isoquinoline
| Molecular Formula | C10H10N2 |
|---|---|
| Molecular Weight | 158.08 g/mol |
| LogP | 1.7711 |
| Topological Polar Surface Area | 27.82 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 158.0844 |
| Heavy Atoms | 12 |
| Complexity | 428.33124 |
Chemical Identifiers
| CAS Number | 53269-34-4 |
|---|---|
| SMILES | C1C2=C3C(=CNC3=CC=C2)CN1 |
Product Overview
1,3,4,5-Tetrahydropyrrolo[4,3,2-de]isoquinoline (CAS 53269-34-4), with molecular formula C10H10N2 and molecular weight 158.08 g/mol. IUPAC: 2,6-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene.
Chemical Property Profile of 1,3,4,5-Tetrahydropyrrolo[4,3,2-de]isoquinoline
Property Insights of 1,3,4,5-Tetrahydropyrrolo[4,3,2-de]isoquinoline
The XLogP value of 1.7711 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,4,5-Tetrahydropyrrolo[4,3,2-de]isoquinoline. With a topological polar surface area (TPSA) of 27.82 Ų, 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, 1,3,4,5-Tetrahydropyrrolo[4,3,2-de]isoquinoline has 2 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 1,3,4,5-Tetrahydropyrrolo[4,3,2-de]isoquinoline?
The CAS number of 1,3,4,5-Tetrahydropyrrolo[4,3,2-de]isoquinoline is 53269-34-4.
What is the molecular formula of 1,3,4,5-Tetrahydropyrrolo[4,3,2-de]isoquinoline?
The molecular formula of 1,3,4,5-Tetrahydropyrrolo[4,3,2-de]isoquinoline is C10H10N2.
What is the molecular weight of 1,3,4,5-Tetrahydropyrrolo[4,3,2-de]isoquinoline?
The molecular weight of 1,3,4,5-Tetrahydropyrrolo[4,3,2-de]isoquinoline is 158.08 g/mol.
Where can I buy 1,3,4,5-Tetrahydropyrrolo[4,3,2-de]isoquinoline?
You can request a quote for 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 1,3,4,5-Tetrahydropyrrolo[4,3,2-de]isoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 1,3,4,5-Tetrahydropyrrolo[4,3,2-de]isoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.