2-(4-methoxybenzyl)-1,3-dioxo-1,2,3,4-tetrahydro-4-isoquinolinecarbaldehyde O-(4-fluorobenzyl)oxime
TL;DR: 2-(4-methoxybenzyl)-1,3-dioxo-1,2,3,4-tetrahydro-4-isoquinolinecarbaldehyde O-(4-fluorobenzyl)oxime (CAS 303986-08-5) is a chemical compound with molecular formula C25H21FN2O4 and molecular weight 432.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-fluorophenyl)methoxyiminomethyl]-2-[(4-methoxyphenyl)methyl]-4H-isoquinoline-1,3-dione
Also Known As: 2-(4-methoxybenzyl)-1,3-dioxo-1,2,3,4-tetrahydro-4-isoquinolinecarbaldehyde O-(4-fluorobenzyl)oxime, 4-[(4-fluorophenyl)methoxyiminomethyl]-2-[(4-methoxyphenyl)methyl]-4H-isoquinoline-1,3-dione
| Molecular Formula | C25H21FN2O4 |
|---|---|
| Molecular Weight | 432.15 g/mol |
| LogP | 4.3031 |
| Topological Polar Surface Area | 68.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 432.14853 |
| Heavy Atoms | 32 |
| Complexity | 1143.3633 |
Chemical Identifiers
| CAS Number | 303986-08-5 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CN2C(=O)C(C3=CC=CC=C3C2=O)C=NOCC4=CC=C(C=C4)F |
Product Overview
2-(4-methoxybenzyl)-1,3-dioxo-1,2,3,4-tetrahydro-4-isoquinolinecarbaldehyde O-(4-fluorobenzyl)oxime (CAS 303986-08-5), with molecular formula C25H21FN2O4 and molecular weight 432.15 g/mol. IUPAC: 4-[(4-fluorophenyl)methoxyiminomethyl]-2-[(4-methoxyphenyl)methyl]-4H-isoquinoline-1,3-dione.
Chemical Property Profile of 2-(4-methoxybenzyl)-1,3-dioxo-1,2,3,4-tetrahydro-4-isoquinolinecarbaldehyde O-(4-fluorobenzyl)oxime
Property Insights of 2-(4-methoxybenzyl)-1,3-dioxo-1,2,3,4-tetrahydro-4-isoquinolinecarbaldehyde O-(4-fluorobenzyl)oxime
The XLogP value of 4.3031 indicates that 2-(4-methoxybenzyl)-1,3-dioxo-1,2,3,4-tetrahydro-4-isoquinolinecarbaldehyde O-(4-fluorobenzyl)oxime is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-methoxybenzyl)-1,3-dioxo-1,2,3,4-tetrahydro-4-isoquinolinecarbaldehyde O-(4-fluorobenzyl)oxime. Following Lipinski's Rule of Five, 2-(4-methoxybenzyl)-1,3-dioxo-1,2,3,4-tetrahydro-4-isoquinolinecarbaldehyde O-(4-fluorobenzyl)oxime has 0 hydrogen bond donor(s) and 5 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 2-(4-methoxybenzyl)-1,3-dioxo-1,2,3,4-tetrahydro-4-isoquinolinecarbaldehyde O-(4-fluorobenzyl)oxime?
The CAS number of 2-(4-methoxybenzyl)-1,3-dioxo-1,2,3,4-tetrahydro-4-isoquinolinecarbaldehyde O-(4-fluorobenzyl)oxime is 303986-08-5.
What is the molecular formula of 2-(4-methoxybenzyl)-1,3-dioxo-1,2,3,4-tetrahydro-4-isoquinolinecarbaldehyde O-(4-fluorobenzyl)oxime?
The molecular formula of 2-(4-methoxybenzyl)-1,3-dioxo-1,2,3,4-tetrahydro-4-isoquinolinecarbaldehyde O-(4-fluorobenzyl)oxime is C25H21FN2O4.
What is the molecular weight of 2-(4-methoxybenzyl)-1,3-dioxo-1,2,3,4-tetrahydro-4-isoquinolinecarbaldehyde O-(4-fluorobenzyl)oxime?
The molecular weight of 2-(4-methoxybenzyl)-1,3-dioxo-1,2,3,4-tetrahydro-4-isoquinolinecarbaldehyde O-(4-fluorobenzyl)oxime is 432.15 g/mol.
Where can I buy 2-(4-methoxybenzyl)-1,3-dioxo-1,2,3,4-tetrahydro-4-isoquinolinecarbaldehyde O-(4-fluorobenzyl)oxime?
You can request a quote for 2-(4-methoxybenzyl)-1,3-dioxo-1,2,3,4-tetrahydro-4-isoquinolinecarbaldehyde O-(4-fluorobenzyl)oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-methoxybenzyl)-1,3-dioxo-1,2,3,4-tetrahydro-4-isoquinolinecarbaldehyde O-(4-fluorobenzyl)oxime?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-methoxybenzyl)-1,3-dioxo-1,2,3,4-tetrahydro-4-isoquinolinecarbaldehyde O-(4-fluorobenzyl)oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.