3-Amino-2-methyl-7-nitro-4-phenylisoquinolin-1-one
TL;DR: 3-Amino-2-methyl-7-nitro-4-phenylisoquinolin-1-one (CAS 136146-74-2) is a chemical compound with molecular formula C16H13N3O3 and molecular weight 295.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-2-methyl-7-nitro-4-phenylisoquinolin-1-one
Also Known As: 3-amino-2-methyl-7-nitro-4-phenylisoquinolin-1-one, 3-amino-2-methyl-7-nitro-4-phenyl-isocarbostyril, 3-amino-2-methyl-7-nitro-4-phenyl-1-isoquinolinone, 3-azanyl-2-methyl-7-nitro-4-phenyl-isoquinolin-1-one, 3-Amino-2-methyl-7-nitro-4-phenylisoquinolin-1(2H)-one
| Molecular Formula | C16H13N3O3 |
|---|---|
| Molecular Weight | 295.10 g/mol |
| LogP | 2.6959 |
| Topological Polar Surface Area | 91.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 295.0957 |
| Heavy Atoms | 22 |
| Complexity | 946.2475 |
Chemical Identifiers
| CAS Number | 136146-74-2 |
|---|---|
| SMILES | CN1C(=C(C2=C(C1=O)C=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3)N |
Product Overview
3-Amino-2-methyl-7-nitro-4-phenylisoquinolin-1-one (CAS 136146-74-2), with molecular formula C16H13N3O3 and molecular weight 295.10 g/mol. IUPAC: 3-amino-2-methyl-7-nitro-4-phenylisoquinolin-1-one.
Chemical Property Profile of 3-Amino-2-methyl-7-nitro-4-phenylisoquinolin-1-one
Property Insights of 3-Amino-2-methyl-7-nitro-4-phenylisoquinolin-1-one
The XLogP value of 2.6959 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Amino-2-methyl-7-nitro-4-phenylisoquinolin-1-one. The TPSA of 91.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Amino-2-methyl-7-nitro-4-phenylisoquinolin-1-one. Following Lipinski's Rule of Five, 3-Amino-2-methyl-7-nitro-4-phenylisoquinolin-1-one has 1 hydrogen bond donor(s) and 4 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 3-Amino-2-methyl-7-nitro-4-phenylisoquinolin-1-one?
The CAS number of 3-Amino-2-methyl-7-nitro-4-phenylisoquinolin-1-one is 136146-74-2.
What is the molecular formula of 3-Amino-2-methyl-7-nitro-4-phenylisoquinolin-1-one?
The molecular formula of 3-Amino-2-methyl-7-nitro-4-phenylisoquinolin-1-one is C16H13N3O3.
What is the molecular weight of 3-Amino-2-methyl-7-nitro-4-phenylisoquinolin-1-one?
The molecular weight of 3-Amino-2-methyl-7-nitro-4-phenylisoquinolin-1-one is 295.10 g/mol.
Where can I buy 3-Amino-2-methyl-7-nitro-4-phenylisoquinolin-1-one?
You can request a quote for 3-Amino-2-methyl-7-nitro-4-phenylisoquinolin-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Amino-2-methyl-7-nitro-4-phenylisoquinolin-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Amino-2-methyl-7-nitro-4-phenylisoquinolin-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.