![[1,2,4]Triazolo[3,4-a]isoquinoline structure](/static/products/4405/440-54-0.webp)
[1,2,4]Triazolo[3,4-a]isoquinoline
TL;DR: [1,2,4]Triazolo[3,4-a]isoquinoline (CAS 440-54-0) is a chemical compound with molecular formula C10H7N3 and molecular weight 169.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1,2,4]triazolo[3,4-a]isoquinoline
Also Known As: [1,2,4]triazolo[3,4-a]isoquinoline|s-triazolo<3,4-a>isoquinoline|KST-1A4883|1,2,4-Triazolo[3,4-a]isoquinoline
| Molecular Formula | C10H7N3 |
|---|---|
| Molecular Weight | 169.06 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 30.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 169.064 |
| Heavy Atoms | 13 |
| Complexity | 195.0 |
Chemical Identifiers
| CAS Number | 440-54-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CN3C2=NN=C3 |
| InChIKey | CXHYOLUKMOQURA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
[1,2,4]Triazolo[3,4-a]isoquinoline (CAS 440-54-0), with molecular formula C10H7N3 and molecular weight 169.06 g/mol. IUPAC: [1,2,4]triazolo[3,4-a]isoquinoline.
Chemical Property Profile of [1,2,4]Triazolo[3,4-a]isoquinoline
Property Insights of [1,2,4]Triazolo[3,4-a]isoquinoline
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [1,2,4]Triazolo[3,4-a]isoquinoline. With a topological polar surface area (TPSA) of 30.2 Ų, [1,2,4]Triazolo[3,4-a]isoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [1,2,4]Triazolo[3,4-a]isoquinoline has 0 hydrogen bond donor(s) and 2 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 [1,2,4]Triazolo[3,4-a]isoquinoline?
The CAS number of [1,2,4]Triazolo[3,4-a]isoquinoline is 440-54-0.
What is the molecular formula of [1,2,4]Triazolo[3,4-a]isoquinoline?
The molecular formula of [1,2,4]Triazolo[3,4-a]isoquinoline is C10H7N3.
What is the molecular weight of [1,2,4]Triazolo[3,4-a]isoquinoline?
The molecular weight of [1,2,4]Triazolo[3,4-a]isoquinoline is 169.06 g/mol.
Where can I buy [1,2,4]Triazolo[3,4-a]isoquinoline?
You can request a quote for [1,2,4]Triazolo[3,4-a]isoquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [1,2,4]Triazolo[3,4-a]isoquinoline?
Yes, KEHONG BIO provides custom synthesis services for [1,2,4]Triazolo[3,4-a]isoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.