AB00716091-01
TL;DR: AB00716091-01 (CAS 565193-86-4) is a chemical compound with molecular formula C25H20N2O4 and molecular weight 412.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-(2,4-dimethylphenyl)-3-hydroxy-1-oxoisoquinolin-4-yl]methylideneamino]benzoic acid
Also Known As: AB00716091-01, 2-[[(E)-[2-(2,4-dimethylphenyl)-1,3-dioxoisoquinolin-4-ylidene]methyl]amino]benzoic acid, 2-[[(Z)-[2-(2,4-dimethylphenyl)-1,3-dioxoisoquinolin-4-ylidene]methyl]amino]benzoic acid, 2-[[2-(2,4-dimethylphenyl)-1,3-dioxo-isoquinolin-4-ylidene]methylamino]benzoic Acid, 2-[[2-(2,4-dimethylphenyl)-1,3-dioxoisoquinolin-4-ylidene]methylamino]benzoic acid
| Molecular Formula | C25H20N2O4 |
|---|---|
| Molecular Weight | 412.14 g/mol |
| LogP | 4.76194 |
| Topological Polar Surface Area | 91.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 412.1423 |
| Heavy Atoms | 31 |
| Complexity | 1417.216 |
Chemical Identifiers
| CAS Number | 565193-86-4 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)N2C(=C(C3=CC=CC=C3C2=O)C=NC4=CC=CC=C4C(=O)O)O)C |
Product Overview
AB00716091-01 (CAS 565193-86-4), with molecular formula C25H20N2O4 and molecular weight 412.14 g/mol. IUPAC: 2-[[2-(2,4-dimethylphenyl)-3-hydroxy-1-oxoisoquinolin-4-yl]methylideneamino]benzoic acid.
Chemical Property Profile of AB00716091-01
Property Insights of AB00716091-01
The XLogP value of 4.76194 indicates that AB00716091-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.89 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00716091-01. Following Lipinski's Rule of Five, AB00716091-01 has 2 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 AB00716091-01?
The CAS number of AB00716091-01 is 565193-86-4.
What is the molecular formula of AB00716091-01?
The molecular formula of AB00716091-01 is C25H20N2O4.
What is the molecular weight of AB00716091-01?
The molecular weight of AB00716091-01 is 412.14 g/mol.
Where can I buy AB00716091-01?
You can request a quote for AB00716091-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00716091-01?
Yes, KEHONG BIO provides custom synthesis services for AB00716091-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.