AB00322647-02
TL;DR: AB00322647-02 (CAS 591736-82-2) is a chemical compound with molecular formula C24H27N5O4 and molecular weight 449.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-2-nitrophenyl]-4-methylphthalazin-1-one
Also Known As: AB00322647-02, 4-methyl-2-(2-nitro-5-(4-pivaloylpiperazin-1-yl)phenyl)phthalazin-1(2H)-one, 2-[5-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-2-nitrophenyl]-4-methylphthalazin-1-one, 2-{5-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-2-nitrophenyl}-4-methylphthalazin-1(2H)-one, 2-[5-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-2-nitro-phenyl]-4-methyl-phthalazin-1-one
| Molecular Formula | C24H27N5O4 |
|---|---|
| Molecular Weight | 449.21 g/mol |
| LogP | 3.29702 |
| Topological Polar Surface Area | 101.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 449.2063 |
| Heavy Atoms | 33 |
| Complexity | 1300.433 |
Chemical Identifiers
| CAS Number | 591736-82-2 |
|---|---|
| SMILES | CC1=NN(C(=O)C2=CC=CC=C12)C3=C(C=CC(=C3)N4CCN(CC4)C(=O)C(C)(C)C)[N+](=O)[O-] |
Product Overview
AB00322647-02 (CAS 591736-82-2), with molecular formula C24H27N5O4 and molecular weight 449.21 g/mol. IUPAC: 2-[5-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-2-nitrophenyl]-4-methylphthalazin-1-one.
Chemical Property Profile of AB00322647-02
Property Insights of AB00322647-02
The XLogP value of 3.29702 indicates that AB00322647-02 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.58 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00322647-02. Following Lipinski's Rule of Five, AB00322647-02 has 0 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 AB00322647-02?
The CAS number of AB00322647-02 is 591736-82-2.
What is the molecular formula of AB00322647-02?
The molecular formula of AB00322647-02 is C24H27N5O4.
What is the molecular weight of AB00322647-02?
The molecular weight of AB00322647-02 is 449.21 g/mol.
Where can I buy AB00322647-02?
You can request a quote for AB00322647-02 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00322647-02?
Yes, KEHONG BIO provides custom synthesis services for AB00322647-02 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.