Isoquinoline-4-carboxamide
TL;DR: Isoquinoline-4-carboxamide (CAS 7114-81-0) is a chemical compound with molecular formula C10H8N2O and molecular weight 172.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
isoquinoline-4-carboxamide
Also Known As: isoquinoline-4-carboxamide, 4-Isoquinolinecarboxamide, 4-Carbamoylisoquinoline, 4-Isoquinolinecarboxamide #, J2.073.391H
| Molecular Formula | C10H8N2O |
|---|---|
| Molecular Weight | 172.06 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 56.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 172.06366 |
| Heavy Atoms | 13 |
| Complexity | 205.0 |
Chemical Identifiers
| CAS Number | 7114-81-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=NC=C2C(=O)N |
| InChIKey | JGNIYFRSFZEFCQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isoquinoline-4-carboxamide (CAS 7114-81-0), with molecular formula C10H8N2O and molecular weight 172.06 g/mol. IUPAC: isoquinoline-4-carboxamide.
Chemical Property Profile of Isoquinoline-4-carboxamide
Property Insights of Isoquinoline-4-carboxamide
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoquinoline-4-carboxamide. With a topological polar surface area (TPSA) of 56.0 Ų, Isoquinoline-4-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoquinoline-4-carboxamide has 1 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 Isoquinoline-4-carboxamide?
The CAS number of Isoquinoline-4-carboxamide is 7114-81-0.
What is the molecular formula of Isoquinoline-4-carboxamide?
The molecular formula of Isoquinoline-4-carboxamide is C10H8N2O.
What is the molecular weight of Isoquinoline-4-carboxamide?
The molecular weight of Isoquinoline-4-carboxamide is 172.06 g/mol.
Where can I buy Isoquinoline-4-carboxamide?
You can request a quote for Isoquinoline-4-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoquinoline-4-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for Isoquinoline-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.