![1-[1-[(2-chloro-6-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-(4-nitrophenyl)thiourea structure](/static/products/895/895430-79-2.png)
1-[1-[(2-chloro-6-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-(4-nitrophenyl)thiourea
TL;DR: 1-[1-[(2-chloro-6-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-(4-nitrophenyl)thiourea (CAS 895430-79-2) is a chemical compound with molecular formula C19H17ClFN5O2S and molecular weight 433.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[1-[(2-chloro-6-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-(4-nitrophenyl)thiourea
Also Known As: 1-[1-[(2-chloro-6-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-(4-nitrophenyl)thiourea, 1-[1-(2-chloro-6-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-3-(4-nitrophenyl)thiourea, ({1-[(6-chloro-2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl}amino)[(4-nitro phenyl)amino]methane-1-thione, 1-[1-[(2-chloro-6-fluoro-phenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-3-(4-nitrophenyl)thiourea
| Molecular Formula | C19H17ClFN5O2S |
|---|---|
| Molecular Weight | 433.08 g/mol |
| LogP | 5.05784 |
| Topological Polar Surface Area | 85.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 433.07755 |
| Heavy Atoms | 29 |
| Complexity | 1064.6987 |
Chemical Identifiers
| CAS Number | 895430-79-2 |
|---|---|
| SMILES | CC1=C(C(=NN1CC2=C(C=CC=C2Cl)F)C)NC(=S)NC3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
1-[1-[(2-chloro-6-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-(4-nitrophenyl)thiourea (CAS 895430-79-2), with molecular formula C19H17ClFN5O2S and molecular weight 433.08 g/mol. IUPAC: 1-[1-[(2-chloro-6-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-(4-nitrophenyl)thiourea.
Chemical Property Profile of 1-[1-[(2-chloro-6-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-(4-nitrophenyl)thiourea
Property Insights of 1-[1-[(2-chloro-6-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-(4-nitrophenyl)thiourea
The XLogP value of 5.05784 indicates that 1-[1-[(2-chloro-6-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-(4-nitrophenyl)thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.02 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[1-[(2-chloro-6-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-(4-nitrophenyl)thiourea. Following Lipinski's Rule of Five, 1-[1-[(2-chloro-6-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-(4-nitrophenyl)thiourea has 2 hydrogen bond donor(s) and 4 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-chloro-6-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-(4-nitrophenyl)thiourea?
The CAS number of 1-[1-[(2-chloro-6-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-(4-nitrophenyl)thiourea is 895430-79-2.
What is the molecular formula of 1-[1-[(2-chloro-6-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-(4-nitrophenyl)thiourea?
The molecular formula of 1-[1-[(2-chloro-6-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-(4-nitrophenyl)thiourea is C19H17ClFN5O2S.
What is the molecular weight of 1-[1-[(2-chloro-6-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-(4-nitrophenyl)thiourea?
The molecular weight of 1-[1-[(2-chloro-6-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-(4-nitrophenyl)thiourea is 433.08 g/mol.
Where can I buy 1-[1-[(2-chloro-6-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-(4-nitrophenyl)thiourea?
You can request a quote for 1-[1-[(2-chloro-6-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-(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-[1-[(2-chloro-6-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-(4-nitrophenyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-[1-[(2-chloro-6-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-(4-nitrophenyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.