![4-{[(3-Methyl-4-oxo-3,4-dihydrophthalazin-1-yl)acetyl]amino}phenyl benzoate structure](/static/products/4208/420833-29-0.webp)
4-{[(3-Methyl-4-oxo-3,4-dihydrophthalazin-1-yl)acetyl]amino}phenyl benzoate
TL;DR: 4-{[(3-Methyl-4-oxo-3,4-dihydrophthalazin-1-yl)acetyl]amino}phenyl benzoate (CAS 420833-29-0) is a chemical compound with molecular formula C24H19N3O4 and molecular weight 413.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]phenyl] benzoate
Also Known As: CBKinase1_002332, CBKinase1_014732, AB00288845-02, BRD-K39296975-001-01-3, 4-{[(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)acetyl]amino}phenyl benzoate
| Molecular Formula | C24H19N3O4 |
|---|---|
| Molecular Weight | 413.14 g/mol |
| LogP | 3.3339 |
| Topological Polar Surface Area | 90.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 413.13754 |
| Heavy Atoms | 31 |
| Complexity | 1312.4934 |
Chemical Identifiers
| CAS Number | 420833-29-0 |
|---|---|
| SMILES | CN1C(=O)C2=CC=CC=C2C(=N1)CC(=O)NC3=CC=C(C=C3)OC(=O)C4=CC=CC=C4 |
Product Overview
4-{[(3-Methyl-4-oxo-3,4-dihydrophthalazin-1-yl)acetyl]amino}phenyl benzoate (CAS 420833-29-0), with molecular formula C24H19N3O4 and molecular weight 413.14 g/mol. IUPAC: [4-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]phenyl] benzoate.
Chemical Property Profile of 4-{[(3-Methyl-4-oxo-3,4-dihydrophthalazin-1-yl)acetyl]amino}phenyl benzoate
Property Insights of 4-{[(3-Methyl-4-oxo-3,4-dihydrophthalazin-1-yl)acetyl]amino}phenyl benzoate
The XLogP value of 3.3339 indicates that 4-{[(3-Methyl-4-oxo-3,4-dihydrophthalazin-1-yl)acetyl]amino}phenyl benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{[(3-Methyl-4-oxo-3,4-dihydrophthalazin-1-yl)acetyl]amino}phenyl benzoate. Following Lipinski's Rule of Five, 4-{[(3-Methyl-4-oxo-3,4-dihydrophthalazin-1-yl)acetyl]amino}phenyl benzoate 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 4-{[(3-Methyl-4-oxo-3,4-dihydrophthalazin-1-yl)acetyl]amino}phenyl benzoate?
The CAS number of 4-{[(3-Methyl-4-oxo-3,4-dihydrophthalazin-1-yl)acetyl]amino}phenyl benzoate is 420833-29-0.
What is the molecular formula of 4-{[(3-Methyl-4-oxo-3,4-dihydrophthalazin-1-yl)acetyl]amino}phenyl benzoate?
The molecular formula of 4-{[(3-Methyl-4-oxo-3,4-dihydrophthalazin-1-yl)acetyl]amino}phenyl benzoate is C24H19N3O4.
What is the molecular weight of 4-{[(3-Methyl-4-oxo-3,4-dihydrophthalazin-1-yl)acetyl]amino}phenyl benzoate?
The molecular weight of 4-{[(3-Methyl-4-oxo-3,4-dihydrophthalazin-1-yl)acetyl]amino}phenyl benzoate is 413.14 g/mol.
Where can I buy 4-{[(3-Methyl-4-oxo-3,4-dihydrophthalazin-1-yl)acetyl]amino}phenyl benzoate?
You can request a quote for 4-{[(3-Methyl-4-oxo-3,4-dihydrophthalazin-1-yl)acetyl]amino}phenyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{[(3-Methyl-4-oxo-3,4-dihydrophthalazin-1-yl)acetyl]amino}phenyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-{[(3-Methyl-4-oxo-3,4-dihydrophthalazin-1-yl)acetyl]amino}phenyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.