AB00096434-01
TL;DR: AB00096434-01 (CAS 378199-80-5) is a chemical compound with molecular formula C26H28N6O4 and molecular weight 488.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethyliminomethyl]-2-(4-nitrophenyl)-5-phenyl-1H-pyrazol-3-one
Also Known As: AB00096434-01, (E)-4-(((2-(4-(cyclopropanecarbonyl)piperazin-1-yl)ethyl)imino)methyl)-2-(4-nitrophenyl)-5-phenyl-1H-pyrazol-3(2H)-one, (4E)-4-[[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethylamino]methylidene]-2-(4-nitrophenyl)-5-phenylpyrazol-3-one, (4Z)-4-[[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethylamino]methylidene]-2-(4-nitrophenyl)-5-phenylpyrazol-3-one, 4-[({2-[4-(cyclopropylcarbonyl)-1-piperazinyl]ethyl}amino)methylene]-2-(4-nitrophenyl)-5-phenyl-2,4-dihydro-3H-pyrazol-3-one
| Molecular Formula | C26H28N6O4 |
|---|---|
| Molecular Weight | 488.22 g/mol |
| LogP | 2.7139 |
| Topological Polar Surface Area | 116.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 488.2172 |
| Heavy Atoms | 36 |
| Complexity | 1316.7142 |
Chemical Identifiers
| CAS Number | 378199-80-5 |
|---|---|
| SMILES | C1CC1C(=O)N2CCN(CC2)CCN=CC3=C(NN(C3=O)C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5 |
Product Overview
AB00096434-01 (CAS 378199-80-5), with molecular formula C26H28N6O4 and molecular weight 488.22 g/mol. IUPAC: 4-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethyliminomethyl]-2-(4-nitrophenyl)-5-phenyl-1H-pyrazol-3-one.
Chemical Property Profile of AB00096434-01
Property Insights of AB00096434-01
The XLogP value of 2.7139 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00096434-01. The TPSA of 116.84 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00096434-01. Following Lipinski's Rule of Five, AB00096434-01 has 1 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 AB00096434-01?
The CAS number of AB00096434-01 is 378199-80-5.
What is the molecular formula of AB00096434-01?
The molecular formula of AB00096434-01 is C26H28N6O4.
What is the molecular weight of AB00096434-01?
The molecular weight of AB00096434-01 is 488.22 g/mol.
Where can I buy AB00096434-01?
You can request a quote for AB00096434-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00096434-01?
Yes, KEHONG BIO provides custom synthesis services for AB00096434-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.