AB00716090-01
TL;DR: AB00716090-01 (CAS 729568-28-9) is a chemical compound with molecular formula C27H24N2O4 and molecular weight 440.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-(3,4-dimethylphenyl)-3-hydroxy-1-oxoisoquinolin-4-yl]methylideneamino]benzoate
Also Known As: AB00716090-01, (E)-ethyl 4-(((2-(3,4-dimethylphenyl)-1,3-dioxo-2,3-dihydroisoquinolin-4(1H)-ylidene)methyl)amino)benzoate, Ethyl 4-[[2-(3,4-dimethylphenyl)-1,3-dioxo-isoquinolin-4-ylidene]methylamino]benzoate, ethyl 4-[[2-(3,4-dimethylphenyl)-1,3-dioxoisoquinolin-4-ylidene]methylamino]benzoate, ethyl 4-({(E)-[2-(3,4-dimethylphenyl)-1,3-dioxo-2,3-dihydroisoquinolin-4(1H)-ylidene]methyl}amino)benzoate
| Molecular Formula | C27H24N2O4 |
|---|---|
| Molecular Weight | 440.17 g/mol |
| LogP | 5.24044 |
| Topological Polar Surface Area | 80.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 440.1736 |
| Heavy Atoms | 33 |
| Complexity | 1433.468 |
Chemical Identifiers
| CAS Number | 729568-28-9 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N=CC2=C(N(C(=O)C3=CC=CC=C32)C4=CC(=C(C=C4)C)C)O |
Product Overview
AB00716090-01 (CAS 729568-28-9), with molecular formula C27H24N2O4 and molecular weight 440.17 g/mol. IUPAC: ethyl 4-[[2-(3,4-dimethylphenyl)-3-hydroxy-1-oxoisoquinolin-4-yl]methylideneamino]benzoate.
Chemical Property Profile of AB00716090-01
Property Insights of AB00716090-01
The XLogP value of 5.24044 indicates that AB00716090-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.89 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00716090-01. Following Lipinski's Rule of Five, AB00716090-01 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00716090-01?
The CAS number of AB00716090-01 is 729568-28-9.
What is the molecular formula of AB00716090-01?
The molecular formula of AB00716090-01 is C27H24N2O4.
What is the molecular weight of AB00716090-01?
The molecular weight of AB00716090-01 is 440.17 g/mol.
Where can I buy AB00716090-01?
You can request a quote for AB00716090-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00716090-01?
Yes, KEHONG BIO provides custom synthesis services for AB00716090-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.