Isoquinoline-5-carboxaldehyde
TL;DR: Isoquinoline-5-carboxaldehyde (CAS 80278-67-7) 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-5-carbaldehyde
Also Known As: isoquinoline-5-carbaldehyde, Isoquinoline-5-carboxaldehyde, 5-isoquinolinecarboxaldehyde, 5-Formylisoquinoline, 3-(Aminomethyl)pyridazine
| Molecular Formula | C10H7NO |
|---|---|
| Molecular Weight | 157.05 g/mol |
| LogP | 2.0473 |
| Topological Polar Surface Area | 29.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 157.05276 |
| Heavy Atoms | 12 |
| Complexity | 417.61304 |
Chemical Identifiers
| CAS Number | 80278-67-7 |
|---|---|
| SMILES | C1=CC2=C(C=CN=C2)C(=C1)C=O |
Product Overview
Isoquinoline-5-carboxaldehyde (CAS 80278-67-7), with molecular formula C10H7NO and molecular weight 157.05 g/mol. IUPAC: isoquinoline-5-carbaldehyde.
Chemical Property Profile of Isoquinoline-5-carboxaldehyde
Property Insights of Isoquinoline-5-carboxaldehyde
The XLogP value of 2.0473 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoquinoline-5-carboxaldehyde. With a topological polar surface area (TPSA) of 29.96 Ų, Isoquinoline-5-carboxaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoquinoline-5-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-5-carboxaldehyde?
The CAS number of Isoquinoline-5-carboxaldehyde is 80278-67-7.
What is the molecular formula of Isoquinoline-5-carboxaldehyde?
The molecular formula of Isoquinoline-5-carboxaldehyde is C10H7NO.
What is the molecular weight of Isoquinoline-5-carboxaldehyde?
The molecular weight of Isoquinoline-5-carboxaldehyde is 157.05 g/mol.
Where can I buy Isoquinoline-5-carboxaldehyde?
You can request a quote for Isoquinoline-5-carboxaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoquinoline-5-carboxaldehyde?
Yes, KEHONG BIO provides custom synthesis services for Isoquinoline-5-carboxaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.