![Pyrrolizino[3,4,5-ab]isoquinoline structure](/static/products/102/102053-02-1.png)
Pyrrolizino[3,4,5-ab]isoquinoline
TL;DR: Pyrrolizino[3,4,5-ab]isoquinoline (CAS 102053-02-1) is a chemical compound with molecular formula C14H9N and molecular weight 191.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
15-azatetracyclo[7.5.1.02,7.012,15]pentadeca-1(14),2,4,6,8,10,12-heptaene
Also Known As: pyrrolizino[3,4,5-ab]isoquinoline, pyrrilizino[3,4,5-ab]isoquinoline, 9c-Aza-9cH-pentaleno[1,6-ab]naphthalene, J2.556.493F, 15-azatetracyclo[7.5.1.02,7.012,15]pentadeca-1,3,5,7,9,11,13-heptaene
| Molecular Formula | C14H9N |
|---|---|
| Molecular Weight | 191.07 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 4.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 191.0735 |
| Heavy Atoms | 15 |
| Complexity | 262.0 |
Chemical Identifiers
| CAS Number | 102053-02-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C3C=CC4=CC=C2N43 |
| InChIKey | MLVYMLQKMCOXSE-UHFFFAOYSA-N |
Product Overview
Pyrrolizino[3,4,5-ab]isoquinoline (CAS 102053-02-1), with molecular formula C14H9N and molecular weight 191.07 g/mol. IUPAC: 15-azatetracyclo[7.5.1.02,7.012,15]pentadeca-1(14),2,4,6,8,10,12-heptaene.
Chemical Property Profile of Pyrrolizino[3,4,5-ab]isoquinoline
Property Insights of Pyrrolizino[3,4,5-ab]isoquinoline
The XLogP value of 4.5 indicates that Pyrrolizino[3,4,5-ab]isoquinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 4.4 Ų, Pyrrolizino[3,4,5-ab]isoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrrolizino[3,4,5-ab]isoquinoline has 0 hydrogen bond donor(s) and 0 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 Pyrrolizino[3,4,5-ab]isoquinoline?
The CAS number of Pyrrolizino[3,4,5-ab]isoquinoline is 102053-02-1.
What is the molecular formula of Pyrrolizino[3,4,5-ab]isoquinoline?
The molecular formula of Pyrrolizino[3,4,5-ab]isoquinoline is C14H9N.
What is the molecular weight of Pyrrolizino[3,4,5-ab]isoquinoline?
The molecular weight of Pyrrolizino[3,4,5-ab]isoquinoline is 191.07 g/mol.
Where can I buy Pyrrolizino[3,4,5-ab]isoquinoline?
You can request a quote for Pyrrolizino[3,4,5-ab]isoquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrrolizino[3,4,5-ab]isoquinoline?
Yes, KEHONG BIO provides custom synthesis services for Pyrrolizino[3,4,5-ab]isoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.