1-(1H-1,2,3,4-tetrazol-5-yl)isoquinoline
TL;DR: 1-(1H-1,2,3,4-tetrazol-5-yl)isoquinoline (CAS 59175-48-3) is a chemical compound with molecular formula C10H7N5 and molecular weight 197.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2H-tetrazol-5-yl)isoquinoline
Also Known As: tetrazolylisoquinoline, 1-(2H-tetrazol-5-yl)isoquinoline, 1-(1H-1,2,3,4-Tetrazol-5-yl)isoquinoline, 1-(1H-tetrazol-5-yl)isoquinoline, 1-(2H-Tetrazole-5-yl)isoquinoline
| Molecular Formula | C10H7N5 |
|---|---|
| Molecular Weight | 197.07 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 67.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 197.07014 |
| Heavy Atoms | 15 |
| Complexity | 222.0 |
Chemical Identifiers
| CAS Number | 59175-48-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CN=C2C3=NNN=N3 |
| InChIKey | VZPRORJCFJCESW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(1H-1,2,3,4-tetrazol-5-yl)isoquinoline (CAS 59175-48-3), with molecular formula C10H7N5 and molecular weight 197.07 g/mol. IUPAC: 1-(2H-tetrazol-5-yl)isoquinoline.
Chemical Property Profile of 1-(1H-1,2,3,4-tetrazol-5-yl)isoquinoline
Property Insights of 1-(1H-1,2,3,4-tetrazol-5-yl)isoquinoline
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1H-1,2,3,4-tetrazol-5-yl)isoquinoline. The TPSA of 67.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1H-1,2,3,4-tetrazol-5-yl)isoquinoline. Following Lipinski's Rule of Five, 1-(1H-1,2,3,4-tetrazol-5-yl)isoquinoline has 1 hydrogen bond donor(s) and 4 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-(1H-1,2,3,4-tetrazol-5-yl)isoquinoline?
The CAS number of 1-(1H-1,2,3,4-tetrazol-5-yl)isoquinoline is 59175-48-3.
What is the molecular formula of 1-(1H-1,2,3,4-tetrazol-5-yl)isoquinoline?
The molecular formula of 1-(1H-1,2,3,4-tetrazol-5-yl)isoquinoline is C10H7N5.
What is the molecular weight of 1-(1H-1,2,3,4-tetrazol-5-yl)isoquinoline?
The molecular weight of 1-(1H-1,2,3,4-tetrazol-5-yl)isoquinoline is 197.07 g/mol.
Where can I buy 1-(1H-1,2,3,4-tetrazol-5-yl)isoquinoline?
You can request a quote for 1-(1H-1,2,3,4-tetrazol-5-yl)isoquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1H-1,2,3,4-tetrazol-5-yl)isoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 1-(1H-1,2,3,4-tetrazol-5-yl)isoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.