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2-(4-methylbenzyl)-5,6-dihydrobenzo[h]cinnolin-3(2H)-one structure
Fine Chemical

2-(4-methylbenzyl)-5,6-dihydrobenzo[h]cinnolin-3(2H)-one

TL;DR: 2-(4-methylbenzyl)-5,6-dihydrobenzo[h]cinnolin-3(2H)-one (CAS 478042-19-2) is a chemical compound with molecular formula C20H18N2O and molecular weight 302.1419 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

2-[(4-methylphenyl)methyl]-5,6-dihydrobenzo[h]cinnolin-3-one

Also Known As: 2-(4-methylbenzyl)-5,6-dihydrobenzo[h]cinnolin-3(2H)-one, 2-[(4-methylphenyl)methyl]-5,6-dihydrobenzo[h]cinnolin-3-one, 3R-1250, 2-[(4-methylphenyl)methyl]-2H,3H,5H,6H-benzo[h]cinnolin-3-one, 2-[(4-methylphenyl)methyl]-5H,6H-benzo[h]cinnolin-3-one

CAS Number
478042-19-2
Molecular Formula
C20H18N2O
Molecular Weight
302.1419 g/mol
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Technical Specifications

Molecular FormulaC20H18N2O
Molecular Weight302.1419 g/mol
XLogP3.6
Topological Polar Surface Area (TPSA)32.7 Ų
Hydrogen Bond Donors0
Hydrogen Bond Acceptors2
Rotatable Bonds2
Exact Mass302.1419 Da
Heavy Atoms23
Complexity528.0
SMILESCC1=CC=C(C=C1)CN2C(=O)C=C3CCC4=CC=CC=C4C3=N2
InChIKeyQEWBVSKCARMUHW-UHFFFAOYSA-N

Product Description

Applications: 2-(4-methylbenzyl)-5,6-dihydrobenzo[h]cinnolin-3(2H)-one is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).

2-(4-methylbenzyl)-5,6-dihydrobenzo[h]cinnolin-3(2H)-one is a fine chemical identified by CAS number 478042-19-2 and the molecular formula C20H18N2O and a molecular weight of 302.14 g/mol. Synonyms include KS-000036NP and 2-(4-methylbenzyl)-5,6-dihydrobenzo[h]cinnolin-3(2H)-one.

Custom synthesis (mg to ton scale), HPLC/NMR/MS analytical support, and complete COA/MSDS documentation are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.

Chemical Property Profile of 2-(4-methylbenzyl)-5,6-dihydrobenzo[h]cinnolin-3(2H)-one

XLogP
3.6
TPSA (Topological Polar Surface Area)
32.7
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
Rotatable Bonds
2
Heavy Atoms
23
Complexity
528.0
Exact Mass
302.1419
Monoisotopic Mass
302.1419
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of 2-(4-methylbenzyl)-5,6-dihydrobenzo[h]cinnolin-3(2H)-one

The XLogP value of 3.6 indicates that 2-(4-methylbenzyl)-5,6-dihydrobenzo[h]cinnolin-3(2H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.7 Ų, 2-(4-methylbenzyl)-5,6-dihydrobenzo[h]cinnolin-3(2H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-methylbenzyl)-5,6-dihydrobenzo[h]cinnolin-3(2H)-one 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

What is the CAS number of 2-(4-methylbenzyl)-5,6-dihydrobenzo[h]cinnolin-3(2H)-one?

The CAS number of 2-(4-methylbenzyl)-5,6-dihydrobenzo[h]cinnolin-3(2H)-one is 478042-19-2.

What is the molecular formula of 2-(4-methylbenzyl)-5,6-dihydrobenzo[h]cinnolin-3(2H)-one?

The molecular formula of 2-(4-methylbenzyl)-5,6-dihydrobenzo[h]cinnolin-3(2H)-one is C20H18N2O.

What is the molecular weight of 2-(4-methylbenzyl)-5,6-dihydrobenzo[h]cinnolin-3(2H)-one?

The molecular weight of 2-(4-methylbenzyl)-5,6-dihydrobenzo[h]cinnolin-3(2H)-one is 302.1419 g/mol.

What are the applications of 2-(4-methylbenzyl)-5,6-dihydrobenzo[h]cinnolin-3(2H)-one?

2-(4-methylbenzyl)-5,6-dihydrobenzo[h]cinnolin-3(2H)-one is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical...

Where can I buy 2-(4-methylbenzyl)-5,6-dihydrobenzo[h]cinnolin-3(2H)-one?

You can request a quote for 2-(4-methylbenzyl)-5,6-dihydrobenzo[h]cinnolin-3(2H)-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for 2-(4-methylbenzyl)-5,6-dihydrobenzo[h]cinnolin-3(2H)-one?

Yes, CoreyChem provides custom synthesis services for 2-(4-methylbenzyl)-5,6-dihydrobenzo[h]cinnolin-3(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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