7-methyl-3-(4-nitrophenyl)-4,6,7,8-tetrahydro-1H-cinnolin-5-one
TL;DR: 7-methyl-3-(4-nitrophenyl)-4,6,7,8-tetrahydro-1H-cinnolin-5-one (CAS 1023554-64-4) is a chemical compound with molecular formula C15H15N3O3 and molecular weight 285.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-methyl-3-(4-nitrophenyl)-4,6,7,8-tetrahydro-1H-cinnolin-5-one
Also Known As: 7-methyl-3-(4-nitrophenyl)-4,6,7,8-tetrahydro-1H-cinnolin-5-one, 7-METHYL-3-(4-NITROPHENYL)-1,4,6,7,8-PENTAHYDROCINNOLIN-5-ONE
| Molecular Formula | C15H15N3O3 |
|---|---|
| Molecular Weight | 285.11 g/mol |
| LogP | 2.5453 |
| Topological Polar Surface Area | 84.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 285.11133 |
| Heavy Atoms | 21 |
| Complexity | 673.9092 |
Chemical Identifiers
| CAS Number | 1023554-64-4 |
|---|---|
| SMILES | CC1CC2=C(CC(=NN2)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)C1 |
Product Overview
7-methyl-3-(4-nitrophenyl)-4,6,7,8-tetrahydro-1H-cinnolin-5-one (CAS 1023554-64-4), with molecular formula C15H15N3O3 and molecular weight 285.11 g/mol. IUPAC: 7-methyl-3-(4-nitrophenyl)-4,6,7,8-tetrahydro-1H-cinnolin-5-one.
Chemical Property Profile of 7-methyl-3-(4-nitrophenyl)-4,6,7,8-tetrahydro-1H-cinnolin-5-one
Property Insights of 7-methyl-3-(4-nitrophenyl)-4,6,7,8-tetrahydro-1H-cinnolin-5-one
The XLogP value of 2.5453 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-methyl-3-(4-nitrophenyl)-4,6,7,8-tetrahydro-1H-cinnolin-5-one. The TPSA of 84.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-methyl-3-(4-nitrophenyl)-4,6,7,8-tetrahydro-1H-cinnolin-5-one. Following Lipinski's Rule of Five, 7-methyl-3-(4-nitrophenyl)-4,6,7,8-tetrahydro-1H-cinnolin-5-one has 1 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 7-methyl-3-(4-nitrophenyl)-4,6,7,8-tetrahydro-1H-cinnolin-5-one?
The CAS number of 7-methyl-3-(4-nitrophenyl)-4,6,7,8-tetrahydro-1H-cinnolin-5-one is 1023554-64-4.
What is the molecular formula of 7-methyl-3-(4-nitrophenyl)-4,6,7,8-tetrahydro-1H-cinnolin-5-one?
The molecular formula of 7-methyl-3-(4-nitrophenyl)-4,6,7,8-tetrahydro-1H-cinnolin-5-one is C15H15N3O3.
What is the molecular weight of 7-methyl-3-(4-nitrophenyl)-4,6,7,8-tetrahydro-1H-cinnolin-5-one?
The molecular weight of 7-methyl-3-(4-nitrophenyl)-4,6,7,8-tetrahydro-1H-cinnolin-5-one is 285.11 g/mol.
Where can I buy 7-methyl-3-(4-nitrophenyl)-4,6,7,8-tetrahydro-1H-cinnolin-5-one?
You can request a quote for 7-methyl-3-(4-nitrophenyl)-4,6,7,8-tetrahydro-1H-cinnolin-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-methyl-3-(4-nitrophenyl)-4,6,7,8-tetrahydro-1H-cinnolin-5-one?
Yes, KEHONG BIO provides custom synthesis services for 7-methyl-3-(4-nitrophenyl)-4,6,7,8-tetrahydro-1H-cinnolin-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.