![N'-(3-Chloro-4-fluorophenyl)-N-prop-2-en-1-yl-N-[(1-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrrol-2-yl)methyl]urea structure](/static/products/5937/5937-52-0.webp)
N'-(3-Chloro-4-fluorophenyl)-N-prop-2-en-1-yl-N-[(1-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrrol-2-yl)methyl]urea
TL;DR: N'-(3-Chloro-4-fluorophenyl)-N-prop-2-en-1-yl-N-[(1-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrrol-2-yl)methyl]urea (CAS 5937-52-0) is a chemical compound with molecular formula C23H20ClF4N3O and molecular weight 465.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-chloro-4-fluorophenyl)-1-prop-2-enyl-1-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]urea
Also Known As: N'-(3-Chloro-4-fluorophenyl)-N-prop-2-en-1-yl-N-[(1-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrrol-2-yl)methyl]urea, 3-(3-chloro-4-fluorophenyl)-1-prop-2-enyl-1-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]urea, N'-(3-Chloro-4-fluorophenyl)-N-(prop-2-en-1-yl)-N-[(1-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrrol-2-yl)methyl]urea
| Molecular Formula | C23H20ClF4N3O |
|---|---|
| Molecular Weight | 465.12 g/mol |
| LogP | 6.5678 |
| Topological Polar Surface Area | 37.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 7 |
| Exact Mass | 465.1231 |
| Heavy Atoms | 32 |
| Complexity | 1110.6161 |
Chemical Identifiers
| CAS Number | 5937-52-0 |
|---|---|
| SMILES | C=CCN(CC1=CC=CN1CC2=CC(=CC=C2)C(F)(F)F)C(=O)NC3=CC(=C(C=C3)F)Cl |
Product Overview
N'-(3-Chloro-4-fluorophenyl)-N-prop-2-en-1-yl-N-[(1-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrrol-2-yl)methyl]urea (CAS 5937-52-0), with molecular formula C23H20ClF4N3O and molecular weight 465.12 g/mol. IUPAC: 3-(3-chloro-4-fluorophenyl)-1-prop-2-enyl-1-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]urea.
Chemical Property Profile of N'-(3-Chloro-4-fluorophenyl)-N-prop-2-en-1-yl-N-[(1-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrrol-2-yl)methyl]urea
Property Insights of N'-(3-Chloro-4-fluorophenyl)-N-prop-2-en-1-yl-N-[(1-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrrol-2-yl)methyl]urea
The XLogP value of 6.5678 indicates that N'-(3-Chloro-4-fluorophenyl)-N-prop-2-en-1-yl-N-[(1-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrrol-2-yl)methyl]urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.27 Ų, N'-(3-Chloro-4-fluorophenyl)-N-prop-2-en-1-yl-N-[(1-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrrol-2-yl)methyl]urea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N'-(3-Chloro-4-fluorophenyl)-N-prop-2-en-1-yl-N-[(1-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrrol-2-yl)methyl]urea has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N'-(3-Chloro-4-fluorophenyl)-N-prop-2-en-1-yl-N-[(1-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrrol-2-yl)methyl]urea?
The CAS number of N'-(3-Chloro-4-fluorophenyl)-N-prop-2-en-1-yl-N-[(1-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrrol-2-yl)methyl]urea is 5937-52-0.
What is the molecular formula of N'-(3-Chloro-4-fluorophenyl)-N-prop-2-en-1-yl-N-[(1-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrrol-2-yl)methyl]urea?
The molecular formula of N'-(3-Chloro-4-fluorophenyl)-N-prop-2-en-1-yl-N-[(1-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrrol-2-yl)methyl]urea is C23H20ClF4N3O.
What is the molecular weight of N'-(3-Chloro-4-fluorophenyl)-N-prop-2-en-1-yl-N-[(1-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrrol-2-yl)methyl]urea?
The molecular weight of N'-(3-Chloro-4-fluorophenyl)-N-prop-2-en-1-yl-N-[(1-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrrol-2-yl)methyl]urea is 465.12 g/mol.
Where can I buy N'-(3-Chloro-4-fluorophenyl)-N-prop-2-en-1-yl-N-[(1-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrrol-2-yl)methyl]urea?
You can request a quote for N'-(3-Chloro-4-fluorophenyl)-N-prop-2-en-1-yl-N-[(1-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrrol-2-yl)methyl]urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N'-(3-Chloro-4-fluorophenyl)-N-prop-2-en-1-yl-N-[(1-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrrol-2-yl)methyl]urea?
Yes, KEHONG BIO provides custom synthesis services for N'-(3-Chloro-4-fluorophenyl)-N-prop-2-en-1-yl-N-[(1-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrrol-2-yl)methyl]urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.