1-Piperazinecarboxylic acid, 4-(2-hydroxyethyl)-, 4-butyl-1,2-diphenyl-5-oxo-2,5-dihydro-1H-pyrazol-3-yl ester
TL;DR: 1-Piperazinecarboxylic acid, 4-(2-hydroxyethyl)-, 4-butyl-1,2-diphenyl-5-oxo-2,5-dihydro-1H-pyrazol-3-yl ester (CAS 70485-38-0) is a chemical compound with molecular formula C26H32N4O4 and molecular weight 464.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-butyl-5-oxo-1,2-diphenylpyrazol-3-yl) 4-(2-hydroxyethyl)piperazine-1-carboxylate
Also Known As: 1-Piperazinecarboxylic acid, 4-(2-hydroxyethyl)-, 4-butyl-1,2-diphenyl-5-oxo-2,5-dihydro-1H-pyrazol-3-yl ester, Urethane d'enol de la phenylbutazone et de la N-(2-hydroxyethyl)piperazine [French], Urethane d'enol de la phenylbutazone et de la N-(2-hydroxyethyl)piperazine, (4-butyl-5-oxo-1,2-diphenylpyrazol-3-yl) 4-(2-hydroxyethyl)piperazine-1-carboxylate, 4-Butyl-5-oxo-1,2-diphenyl-2,5-dihydro-1H-pyrazol-3-yl 4-(2-hydroxyethyl)piperazine-1-carboxylate
| Molecular Formula | C26H32N4O4 |
|---|---|
| Molecular Weight | 464.24 g/mol |
| LogP | 3.0795 |
| Topological Polar Surface Area | 79.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 464.24237 |
| Heavy Atoms | 34 |
| Complexity | 1132.8573 |
Chemical Identifiers
| CAS Number | 70485-38-0 |
|---|---|
| SMILES | CCCCC1=C(N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)OC(=O)N4CCN(CC4)CCO |
Product Overview
1-Piperazinecarboxylic acid, 4-(2-hydroxyethyl)-, 4-butyl-1,2-diphenyl-5-oxo-2,5-dihydro-1H-pyrazol-3-yl ester (CAS 70485-38-0), with molecular formula C26H32N4O4 and molecular weight 464.24 g/mol. IUPAC: (4-butyl-5-oxo-1,2-diphenylpyrazol-3-yl) 4-(2-hydroxyethyl)piperazine-1-carboxylate.
Chemical Property Profile of 1-Piperazinecarboxylic acid, 4-(2-hydroxyethyl)-, 4-butyl-1,2-diphenyl-5-oxo-2,5-dihydro-1H-pyrazol-3-yl ester
Property Insights of 1-Piperazinecarboxylic acid, 4-(2-hydroxyethyl)-, 4-butyl-1,2-diphenyl-5-oxo-2,5-dihydro-1H-pyrazol-3-yl ester
The XLogP value of 3.0795 indicates that 1-Piperazinecarboxylic acid, 4-(2-hydroxyethyl)-, 4-butyl-1,2-diphenyl-5-oxo-2,5-dihydro-1H-pyrazol-3-yl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.94 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Piperazinecarboxylic acid, 4-(2-hydroxyethyl)-, 4-butyl-1,2-diphenyl-5-oxo-2,5-dihydro-1H-pyrazol-3-yl ester. Following Lipinski's Rule of Five, 1-Piperazinecarboxylic acid, 4-(2-hydroxyethyl)-, 4-butyl-1,2-diphenyl-5-oxo-2,5-dihydro-1H-pyrazol-3-yl ester 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 1-Piperazinecarboxylic acid, 4-(2-hydroxyethyl)-, 4-butyl-1,2-diphenyl-5-oxo-2,5-dihydro-1H-pyrazol-3-yl ester?
The CAS number of 1-Piperazinecarboxylic acid, 4-(2-hydroxyethyl)-, 4-butyl-1,2-diphenyl-5-oxo-2,5-dihydro-1H-pyrazol-3-yl ester is 70485-38-0.
What is the molecular formula of 1-Piperazinecarboxylic acid, 4-(2-hydroxyethyl)-, 4-butyl-1,2-diphenyl-5-oxo-2,5-dihydro-1H-pyrazol-3-yl ester?
The molecular formula of 1-Piperazinecarboxylic acid, 4-(2-hydroxyethyl)-, 4-butyl-1,2-diphenyl-5-oxo-2,5-dihydro-1H-pyrazol-3-yl ester is C26H32N4O4.
What is the molecular weight of 1-Piperazinecarboxylic acid, 4-(2-hydroxyethyl)-, 4-butyl-1,2-diphenyl-5-oxo-2,5-dihydro-1H-pyrazol-3-yl ester?
The molecular weight of 1-Piperazinecarboxylic acid, 4-(2-hydroxyethyl)-, 4-butyl-1,2-diphenyl-5-oxo-2,5-dihydro-1H-pyrazol-3-yl ester is 464.24 g/mol.
Where can I buy 1-Piperazinecarboxylic acid, 4-(2-hydroxyethyl)-, 4-butyl-1,2-diphenyl-5-oxo-2,5-dihydro-1H-pyrazol-3-yl ester?
You can request a quote for 1-Piperazinecarboxylic acid, 4-(2-hydroxyethyl)-, 4-butyl-1,2-diphenyl-5-oxo-2,5-dihydro-1H-pyrazol-3-yl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Piperazinecarboxylic acid, 4-(2-hydroxyethyl)-, 4-butyl-1,2-diphenyl-5-oxo-2,5-dihydro-1H-pyrazol-3-yl ester?
Yes, KEHONG BIO provides custom synthesis services for 1-Piperazinecarboxylic acid, 4-(2-hydroxyethyl)-, 4-butyl-1,2-diphenyl-5-oxo-2,5-dihydro-1H-pyrazol-3-yl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.