![1-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(2-methoxy-4-nitrophenyl)thiourea structure](/static/products/894/894973-10-5.png)
1-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(2-methoxy-4-nitrophenyl)thiourea
TL;DR: 1-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(2-methoxy-4-nitrophenyl)thiourea (CAS 894973-10-5) is a chemical compound with molecular formula C16H17ClF3N5O3S and molecular weight 451.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(2-methoxy-4-nitrophenyl)thiourea
Also Known As: 1-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(2-methoxy-4-nitrophenyl)thiourea, ({3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazolyl]propyl}amino)[(2-methoxy-4 -nitrophenyl)amino]methane-1-thione, 1-{3-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propyl}-3-(2-methoxy-4-nitrophenyl)thiourea
| Molecular Formula | C16H17ClF3N5O3S |
|---|---|
| Molecular Weight | 451.07 g/mol |
| LogP | 4.15722 |
| Topological Polar Surface Area | 94.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 451.06927 |
| Heavy Atoms | 29 |
| Complexity | 919.9358 |
Chemical Identifiers
| CAS Number | 894973-10-5 |
|---|---|
| SMILES | CC1=C(C(=NN1CCCNC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])OC)C(F)(F)F)Cl |
Product Overview
1-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(2-methoxy-4-nitrophenyl)thiourea (CAS 894973-10-5), with molecular formula C16H17ClF3N5O3S and molecular weight 451.07 g/mol. IUPAC: 1-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(2-methoxy-4-nitrophenyl)thiourea.
Chemical Property Profile of 1-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(2-methoxy-4-nitrophenyl)thiourea
Property Insights of 1-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(2-methoxy-4-nitrophenyl)thiourea
The XLogP value of 4.15722 indicates that 1-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(2-methoxy-4-nitrophenyl)thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.25 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(2-methoxy-4-nitrophenyl)thiourea. Following Lipinski's Rule of Five, 1-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(2-methoxy-4-nitrophenyl)thiourea has 2 hydrogen bond donor(s) and 5 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-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(2-methoxy-4-nitrophenyl)thiourea?
The CAS number of 1-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(2-methoxy-4-nitrophenyl)thiourea is 894973-10-5.
What is the molecular formula of 1-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(2-methoxy-4-nitrophenyl)thiourea?
The molecular formula of 1-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(2-methoxy-4-nitrophenyl)thiourea is C16H17ClF3N5O3S.
What is the molecular weight of 1-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(2-methoxy-4-nitrophenyl)thiourea?
The molecular weight of 1-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(2-methoxy-4-nitrophenyl)thiourea is 451.07 g/mol.
Where can I buy 1-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(2-methoxy-4-nitrophenyl)thiourea?
You can request a quote for 1-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(2-methoxy-4-nitrophenyl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(2-methoxy-4-nitrophenyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(2-methoxy-4-nitrophenyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.