![2-[5-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-nitrophenyl]-4-methylphthalazin-1-one structure](/static/products/6631/663182-17-0.webp)
2-[5-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-nitrophenyl]-4-methylphthalazin-1-one
TL;DR: 2-[5-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-nitrophenyl]-4-methylphthalazin-1-one (CAS 663182-17-0) is a chemical compound with molecular formula C30H31N5O4 and molecular weight 525.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-nitrophenyl]-4-methylphthalazin-1-one
Also Known As: 2-[5-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-nitrophenyl]-4-methylphthalazin-1-one, 2-(5-{4-[(4-tert-butylphenyl)carbonyl]piperazin-1-yl}-2-nitrophenyl)-4-methylphthalazin-1(2H)-one, 4-methyl-2-[2-nitro-5-[4-(4-tert-butylbenzoyl)piperazin-1-yl]phenyl]phthalazin-1-one
| Molecular Formula | C30H31N5O4 |
|---|---|
| Molecular Weight | 525.24 g/mol |
| LogP | 4.86222 |
| Topological Polar Surface Area | 101.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 525.2376 |
| Heavy Atoms | 39 |
| Complexity | 1628.4797 |
Chemical Identifiers
| CAS Number | 663182-17-0 |
|---|---|
| SMILES | CC1=NN(C(=O)C2=CC=CC=C12)C3=C(C=CC(=C3)N4CCN(CC4)C(=O)C5=CC=C(C=C5)C(C)(C)C)[N+](=O)[O-] |
Product Overview
2-[5-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-nitrophenyl]-4-methylphthalazin-1-one (CAS 663182-17-0), with molecular formula C30H31N5O4 and molecular weight 525.24 g/mol. IUPAC: 2-[5-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-nitrophenyl]-4-methylphthalazin-1-one.
Chemical Property Profile of 2-[5-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-nitrophenyl]-4-methylphthalazin-1-one
Property Insights of 2-[5-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-nitrophenyl]-4-methylphthalazin-1-one
The XLogP value of 4.86222 indicates that 2-[5-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-nitrophenyl]-4-methylphthalazin-1-one 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 2-[5-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-nitrophenyl]-4-methylphthalazin-1-one. Following Lipinski's Rule of Five, 2-[5-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-nitrophenyl]-4-methylphthalazin-1-one has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[5-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-nitrophenyl]-4-methylphthalazin-1-one?
The CAS number of 2-[5-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-nitrophenyl]-4-methylphthalazin-1-one is 663182-17-0.
What is the molecular formula of 2-[5-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-nitrophenyl]-4-methylphthalazin-1-one?
The molecular formula of 2-[5-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-nitrophenyl]-4-methylphthalazin-1-one is C30H31N5O4.
What is the molecular weight of 2-[5-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-nitrophenyl]-4-methylphthalazin-1-one?
The molecular weight of 2-[5-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-nitrophenyl]-4-methylphthalazin-1-one is 525.24 g/mol.
Where can I buy 2-[5-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-nitrophenyl]-4-methylphthalazin-1-one?
You can request a quote for 2-[5-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-nitrophenyl]-4-methylphthalazin-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[5-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-nitrophenyl]-4-methylphthalazin-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2-[5-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-nitrophenyl]-4-methylphthalazin-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.