4-Quinolinecarboxaldehyde, oxime
TL;DR: 4-Quinolinecarboxaldehyde, oxime (CAS 39977-74-7) 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.
N-(quinolin-4-ylmethylidene)hydroxylamine
Also Known As: 4-quinolinealdoxime, Quinoline-4-aldoxime, 4-Quinolinecarboxaldehyde, oxime, 4-quinolinecarboxaldehyde oxime, 4-Quinolinecarboxaldehyde, oxime, (E)-
| Molecular Formula | C10H8N2O |
|---|---|
| Molecular Weight | 172.06 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 45.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 172.06366 |
| Heavy Atoms | 13 |
| Complexity | 193.0 |
Chemical Identifiers
| CAS Number | 39977-74-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CC=N2)C=NO |
| InChIKey | ALQUTEKNDPODSS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Quinolinecarboxaldehyde, oxime (CAS 39977-74-7), with molecular formula C10H8N2O and molecular weight 172.06 g/mol. IUPAC: N-(quinolin-4-ylmethylidene)hydroxylamine.
Chemical Property Profile of 4-Quinolinecarboxaldehyde, oxime
Property Insights of 4-Quinolinecarboxaldehyde, oxime
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Quinolinecarboxaldehyde, oxime. With a topological polar surface area (TPSA) of 45.5 Ų, 4-Quinolinecarboxaldehyde, oxime exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Quinolinecarboxaldehyde, oxime has 1 hydrogen bond donor(s) and 3 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 4-Quinolinecarboxaldehyde, oxime?
The CAS number of 4-Quinolinecarboxaldehyde, oxime is 39977-74-7.
What is the molecular formula of 4-Quinolinecarboxaldehyde, oxime?
The molecular formula of 4-Quinolinecarboxaldehyde, oxime is C10H8N2O.
What is the molecular weight of 4-Quinolinecarboxaldehyde, oxime?
The molecular weight of 4-Quinolinecarboxaldehyde, oxime is 172.06 g/mol.
Where can I buy 4-Quinolinecarboxaldehyde, oxime?
You can request a quote for 4-Quinolinecarboxaldehyde, oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Quinolinecarboxaldehyde, oxime?
Yes, KEHONG BIO provides custom synthesis services for 4-Quinolinecarboxaldehyde, oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.