AB00716095-01
TL;DR: AB00716095-01 (CAS 565194-01-6) is a chemical compound with molecular formula C22H16N4O4 and molecular weight 400.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hydroxy-2-(6-methyl-2-pyridinyl)-4-[(2-nitrophenyl)iminomethyl]isoquinolin-1-one
Also Known As: AB00716095-01, (4Z)-2-(6-methylpyridin-2-yl)-4-[(2-nitroanilino)methylidene]isoquinoline-1,3-dione, 2-(6-methylpyridin-2-yl)-4-[(2-nitroanilino)methylidene]isoquinoline-1,3-dione, 2-(6-methylpyridin-2-yl)-4-[[(2-nitrophenyl)amino]methylidene]isoquinoline-1,3-dione, (4E)-2-(6-methylpyridin-2-yl)-4-{[(2-nitrophenyl)amino]methylidene}isoquinoline-1,3(2H,4H)-dione
| Molecular Formula | C22H16N4O4 |
|---|---|
| Molecular Weight | 400.12 g/mol |
| LogP | 4.05852 |
| Topological Polar Surface Area | 110.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 400.11716 |
| Heavy Atoms | 30 |
| Complexity | 1375.4313 |
Chemical Identifiers
| CAS Number | 565194-01-6 |
|---|---|
| SMILES | CC1=NC(=CC=C1)N2C(=C(C3=CC=CC=C3C2=O)C=NC4=CC=CC=C4[N+](=O)[O-])O |
Product Overview
AB00716095-01 (CAS 565194-01-6), with molecular formula C22H16N4O4 and molecular weight 400.12 g/mol. IUPAC: 3-hydroxy-2-(6-methyl-2-pyridinyl)-4-[(2-nitrophenyl)iminomethyl]isoquinolin-1-one.
Chemical Property Profile of AB00716095-01
Property Insights of AB00716095-01
The XLogP value of 4.05852 indicates that AB00716095-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.62 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00716095-01. Following Lipinski's Rule of Five, AB00716095-01 has 1 hydrogen bond donor(s) and 6 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 AB00716095-01?
The CAS number of AB00716095-01 is 565194-01-6.
What is the molecular formula of AB00716095-01?
The molecular formula of AB00716095-01 is C22H16N4O4.
What is the molecular weight of AB00716095-01?
The molecular weight of AB00716095-01 is 400.12 g/mol.
Where can I buy AB00716095-01?
You can request a quote for AB00716095-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00716095-01?
Yes, KEHONG BIO provides custom synthesis services for AB00716095-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.