![1-[1-[(2-Chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-3-(2-ethoxyphenyl)thiourea structure](/static/products/957/957487-59-1.png)
1-[1-[(2-Chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-3-(2-ethoxyphenyl)thiourea
TL;DR: 1-[1-[(2-Chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-3-(2-ethoxyphenyl)thiourea (CAS 957487-59-1) is a chemical compound with molecular formula C19H18ClFN4OS and molecular weight 404.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-3-(2-ethoxyphenyl)thiourea
Also Known As: 1-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-3-(2-ethoxyphenyl)thiourea, 1-[1-(2-chloro-4-fluorobenzyl)-1H-pyrazol-4-yl]-3-(2-ethoxyphenyl)thiourea, ({1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl}amino)[(2-ethoxyphenyl)amino ]methane-1-thione
| Molecular Formula | C19H18ClFN4OS |
|---|---|
| Molecular Weight | 404.09 g/mol |
| LogP | 4.9315 |
| Topological Polar Surface Area | 51.11 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 404.0874 |
| Heavy Atoms | 27 |
| Complexity | 946.964 |
Chemical Identifiers
| CAS Number | 957487-59-1 |
|---|---|
| SMILES | CCOC1=CC=CC=C1NC(=S)NC2=CN(N=C2)CC3=C(C=C(C=C3)F)Cl |
Product Overview
1-[1-[(2-Chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-3-(2-ethoxyphenyl)thiourea (CAS 957487-59-1), with molecular formula C19H18ClFN4OS and molecular weight 404.09 g/mol. IUPAC: 1-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-3-(2-ethoxyphenyl)thiourea.
Chemical Property Profile of 1-[1-[(2-Chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-3-(2-ethoxyphenyl)thiourea
Property Insights of 1-[1-[(2-Chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-3-(2-ethoxyphenyl)thiourea
The XLogP value of 4.9315 indicates that 1-[1-[(2-Chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-3-(2-ethoxyphenyl)thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.11 Ų, 1-[1-[(2-Chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-3-(2-ethoxyphenyl)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[1-[(2-Chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-3-(2-ethoxyphenyl)thiourea has 2 hydrogen bond donor(s) and 3 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-[1-[(2-Chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-3-(2-ethoxyphenyl)thiourea?
The CAS number of 1-[1-[(2-Chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-3-(2-ethoxyphenyl)thiourea is 957487-59-1.
What is the molecular formula of 1-[1-[(2-Chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-3-(2-ethoxyphenyl)thiourea?
The molecular formula of 1-[1-[(2-Chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-3-(2-ethoxyphenyl)thiourea is C19H18ClFN4OS.
What is the molecular weight of 1-[1-[(2-Chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-3-(2-ethoxyphenyl)thiourea?
The molecular weight of 1-[1-[(2-Chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-3-(2-ethoxyphenyl)thiourea is 404.09 g/mol.
Where can I buy 1-[1-[(2-Chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-3-(2-ethoxyphenyl)thiourea?
You can request a quote for 1-[1-[(2-Chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-3-(2-ethoxyphenyl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[1-[(2-Chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-3-(2-ethoxyphenyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-[1-[(2-Chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-3-(2-ethoxyphenyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.