![1-[1-(4-butoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3-(3-chlorophenyl)-1-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]urea structure](/static/products/4924/492457-76-8.webp)
1-[1-(4-butoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3-(3-chlorophenyl)-1-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]urea
TL;DR: 1-[1-(4-butoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3-(3-chlorophenyl)-1-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]urea (CAS 492457-76-8) is a chemical compound with molecular formula C31H29ClFN5O4 and molecular weight 589.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[1-(4-butoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3-(3-chlorophenyl)-1-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]urea
Also Known As: 1-[1-(4-butoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3-(3-chlorophenyl)-1-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]urea, N-[1-(4-butoxyphenyl)-2,5-dioxo-3-pyrrolidinyl]-N'-(3-chlorophenyl)-N-[1-(4-fluorobenzyl)-1H-pyrazol-4-yl]urea, N-[1-(4-BUTOXYPHENYL)-2,5-DIOXOTETRAHYDRO-1H-PYRROL-3-YL]-N'-(3-CHLOROPHENYL)-N-[1-(4-FLUOROBENZYL)-1H-PYRAZOL-4-YL]UREA
| Molecular Formula | C31H29ClFN5O4 |
|---|---|
| Molecular Weight | 589.19 g/mol |
| LogP | 6.2734 |
| Topological Polar Surface Area | 96.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 589.1892 |
| Heavy Atoms | 42 |
| Complexity | 1574.9591 |
Chemical Identifiers
| CAS Number | 492457-76-8 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)N(C3=CN(N=C3)CC4=CC=C(C=C4)F)C(=O)NC5=CC(=CC=C5)Cl |
Product Overview
1-[1-(4-butoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3-(3-chlorophenyl)-1-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]urea (CAS 492457-76-8), with molecular formula C31H29ClFN5O4 and molecular weight 589.19 g/mol. IUPAC: 1-[1-(4-butoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3-(3-chlorophenyl)-1-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]urea.
Chemical Property Profile of 1-[1-(4-butoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3-(3-chlorophenyl)-1-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]urea
Property Insights of 1-[1-(4-butoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3-(3-chlorophenyl)-1-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]urea
The XLogP value of 6.2734 indicates that 1-[1-(4-butoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3-(3-chlorophenyl)-1-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.77 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[1-(4-butoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3-(3-chlorophenyl)-1-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]urea. Following Lipinski's Rule of Five, 1-[1-(4-butoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3-(3-chlorophenyl)-1-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]urea has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-[1-(4-butoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3-(3-chlorophenyl)-1-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]urea?
The CAS number of 1-[1-(4-butoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3-(3-chlorophenyl)-1-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]urea is 492457-76-8.
What is the molecular formula of 1-[1-(4-butoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3-(3-chlorophenyl)-1-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]urea?
The molecular formula of 1-[1-(4-butoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3-(3-chlorophenyl)-1-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]urea is C31H29ClFN5O4.
What is the molecular weight of 1-[1-(4-butoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3-(3-chlorophenyl)-1-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]urea?
The molecular weight of 1-[1-(4-butoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3-(3-chlorophenyl)-1-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]urea is 589.19 g/mol.
Where can I buy 1-[1-(4-butoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3-(3-chlorophenyl)-1-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]urea?
You can request a quote for 1-[1-(4-butoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3-(3-chlorophenyl)-1-[1-[(4-fluorophenyl)methyl]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-[1-(4-butoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3-(3-chlorophenyl)-1-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]urea?
Yes, KEHONG BIO provides custom synthesis services for 1-[1-(4-butoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3-(3-chlorophenyl)-1-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.