![1-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]-3-[2-(trifluoromethyl)phenyl]thiourea structure](/static/products/894/894986-06-2.png)
1-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]-3-[2-(trifluoromethyl)phenyl]thiourea
TL;DR: 1-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]-3-[2-(trifluoromethyl)phenyl]thiourea (CAS 894986-06-2) is a chemical compound with molecular formula C18H13Cl2F3N4S and molecular weight 444.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]-3-[2-(trifluoromethyl)phenyl]thiourea
Also Known As: 1-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]-3-[2-(trifluoromethyl)phenyl]thiourea, 1-[1-(2,4-dichlorobenzyl)-1H-pyrazol-4-yl]-3-[2-(trifluoromethyl)phenyl]thiourea, ({1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl}amino){[2-(trifluoromethyl)phenyl ]amino}methane-1-thione
| Molecular Formula | C18H13Cl2F3N4S |
|---|---|
| Molecular Weight | 444.02 g/mol |
| LogP | 6.0659 |
| Topological Polar Surface Area | 41.88 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 444.019 |
| Heavy Atoms | 28 |
| Complexity | 1004.49097 |
Chemical Identifiers
| CAS Number | 894986-06-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(F)(F)F)NC(=S)NC2=CN(N=C2)CC3=C(C=C(C=C3)Cl)Cl |
Product Overview
1-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]-3-[2-(trifluoromethyl)phenyl]thiourea (CAS 894986-06-2), with molecular formula C18H13Cl2F3N4S and molecular weight 444.02 g/mol. IUPAC: 1-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]-3-[2-(trifluoromethyl)phenyl]thiourea.
Chemical Property Profile of 1-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]-3-[2-(trifluoromethyl)phenyl]thiourea
Property Insights of 1-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]-3-[2-(trifluoromethyl)phenyl]thiourea
The XLogP value of 6.0659 indicates that 1-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]-3-[2-(trifluoromethyl)phenyl]thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.88 Ų, 1-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]-3-[2-(trifluoromethyl)phenyl]thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]-3-[2-(trifluoromethyl)phenyl]thiourea has 2 hydrogen bond donor(s) and 2 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-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]-3-[2-(trifluoromethyl)phenyl]thiourea?
The CAS number of 1-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]-3-[2-(trifluoromethyl)phenyl]thiourea is 894986-06-2.
What is the molecular formula of 1-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]-3-[2-(trifluoromethyl)phenyl]thiourea?
The molecular formula of 1-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]-3-[2-(trifluoromethyl)phenyl]thiourea is C18H13Cl2F3N4S.
What is the molecular weight of 1-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]-3-[2-(trifluoromethyl)phenyl]thiourea?
The molecular weight of 1-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]-3-[2-(trifluoromethyl)phenyl]thiourea is 444.02 g/mol.
Where can I buy 1-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]-3-[2-(trifluoromethyl)phenyl]thiourea?
You can request a quote for 1-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]-3-[2-(trifluoromethyl)phenyl]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-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]-3-[2-(trifluoromethyl)phenyl]thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]-3-[2-(trifluoromethyl)phenyl]thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.