1-Butyl-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-urea
TL;DR: 1-Butyl-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-urea (CAS 51944-17-3) is a chemical compound with molecular formula C16H22N4O2 and molecular weight 302.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butyl-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)urea
Also Known As: 1-butyl-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)urea, 1-Butyl-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-urea
| Molecular Formula | C16H22N4O2 |
|---|---|
| Molecular Weight | 302.17 g/mol |
| LogP | 2.40602 |
| Topological Polar Surface Area | 68.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 302.1743 |
| Heavy Atoms | 22 |
| Complexity | 700.92615 |
Chemical Identifiers
| CAS Number | 51944-17-3 |
|---|---|
| SMILES | CCCCNC(=O)NC1=C(N(N(C1=O)C2=CC=CC=C2)C)C |
Product Overview
1-Butyl-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-urea (CAS 51944-17-3), with molecular formula C16H22N4O2 and molecular weight 302.17 g/mol. IUPAC: 1-butyl-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)urea.
Chemical Property Profile of 1-Butyl-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-urea
Property Insights of 1-Butyl-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-urea
The XLogP value of 2.40602 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Butyl-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-urea. The TPSA of 68.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Butyl-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-urea. Following Lipinski's Rule of Five, 1-Butyl-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-urea has 2 hydrogen bond donor(s) and 2 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-Butyl-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-urea?
The CAS number of 1-Butyl-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-urea is 51944-17-3.
What is the molecular formula of 1-Butyl-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-urea?
The molecular formula of 1-Butyl-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-urea is C16H22N4O2.
What is the molecular weight of 1-Butyl-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-urea?
The molecular weight of 1-Butyl-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-urea is 302.17 g/mol.
Where can I buy 1-Butyl-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-urea?
You can request a quote for 1-Butyl-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Butyl-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-urea?
Yes, KEHONG BIO provides custom synthesis services for 1-Butyl-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.