Isoquinoline-3-carboxaldehyde
TL;DR: Isoquinoline-3-carboxaldehyde (CAS 6330-26-3) is a chemical compound with molecular formula C10H7NO and molecular weight 157.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
isoquinoline-3-carbaldehyde
Also Known As: isoquinoline-3-carbaldehyde, 3-Isoquinolinecarboxaldehyde, Isoquinoline-3-carboxaldehyde, 3-Formylisoquinoline, 3-isoquinolinecarbaldehyde
| Molecular Formula | C10H7NO |
|---|---|
| Molecular Weight | 157.05 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 30.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 157.05276 |
| Heavy Atoms | 12 |
| Complexity | 169.0 |
Chemical Identifiers
| CAS Number | 6330-26-3 |
|---|---|
| SMILES | C1=CC=C2C=NC(=CC2=C1)C=O |
| InChIKey | XOYMAJLARWXZBA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isoquinoline-3-carboxaldehyde (CAS 6330-26-3), with molecular formula C10H7NO and molecular weight 157.05 g/mol. IUPAC: isoquinoline-3-carbaldehyde.
Chemical Property Profile of Isoquinoline-3-carboxaldehyde
Property Insights of Isoquinoline-3-carboxaldehyde
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoquinoline-3-carboxaldehyde. With a topological polar surface area (TPSA) of 30.0 Ų, Isoquinoline-3-carboxaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoquinoline-3-carboxaldehyde 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 Isoquinoline-3-carboxaldehyde?
The CAS number of Isoquinoline-3-carboxaldehyde is 6330-26-3.
What is the molecular formula of Isoquinoline-3-carboxaldehyde?
The molecular formula of Isoquinoline-3-carboxaldehyde is C10H7NO.
What is the molecular weight of Isoquinoline-3-carboxaldehyde?
The molecular weight of Isoquinoline-3-carboxaldehyde is 157.05 g/mol.
Where can I buy Isoquinoline-3-carboxaldehyde?
You can request a quote for Isoquinoline-3-carboxaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoquinoline-3-carboxaldehyde?
Yes, KEHONG BIO provides custom synthesis services for Isoquinoline-3-carboxaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.