![1-[(2,5-Dimethyl-4-nitropyrazole-3-carbonyl)amino]-3-(4-fluorophenyl)thiourea structure](/static/products/957/957490-97-0.png)
1-[(2,5-Dimethyl-4-nitropyrazole-3-carbonyl)amino]-3-(4-fluorophenyl)thiourea
TL;DR: 1-[(2,5-Dimethyl-4-nitropyrazole-3-carbonyl)amino]-3-(4-fluorophenyl)thiourea (CAS 957490-97-0) is a chemical compound with molecular formula C13H13FN6O3S and molecular weight 352.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(1,3-dimethyl-4-nitropyrazole-5-carbonyl)amino]-3-(4-fluorophenyl)thiourea
Also Known As: 1-[(2,5-dimethyl-4-nitropyrazole-3-carbonyl)amino]-3-(4-fluorophenyl)thiourea, N-(4-fluorophenyl)-2-({4-nitro-1,3-dimethyl-1H-pyrazol-5-yl}carbonyl)hydrazinecarbothioamide, 2-[(1,3-DIMETHYL-4-NITRO-1H-PYRAZOL-5-YL)CARBONYL]-N-(4-FLUOROPHENYL)-1-HYDRAZINECARBOTHIOAMIDE, 2-[(1,3-dimethyl-4-nitro-1H-pyrazol-5-yl)carbonyl]-N-(4-fluorophenyl)hydrazinecarbothioamide
| Molecular Formula | C13H13FN6O3S |
|---|---|
| Molecular Weight | 352.08 g/mol |
| LogP | 1.40722 |
| Topological Polar Surface Area | 114.12 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 352.07538 |
| Heavy Atoms | 24 |
| Complexity | 804.7835 |
Chemical Identifiers
| CAS Number | 957490-97-0 |
|---|---|
| SMILES | CC1=NN(C(=C1[N+](=O)[O-])C(=O)NNC(=S)NC2=CC=C(C=C2)F)C |
Product Overview
1-[(2,5-Dimethyl-4-nitropyrazole-3-carbonyl)amino]-3-(4-fluorophenyl)thiourea (CAS 957490-97-0), with molecular formula C13H13FN6O3S and molecular weight 352.08 g/mol. IUPAC: 1-[(1,3-dimethyl-4-nitropyrazole-5-carbonyl)amino]-3-(4-fluorophenyl)thiourea.
Chemical Property Profile of 1-[(2,5-Dimethyl-4-nitropyrazole-3-carbonyl)amino]-3-(4-fluorophenyl)thiourea
Property Insights of 1-[(2,5-Dimethyl-4-nitropyrazole-3-carbonyl)amino]-3-(4-fluorophenyl)thiourea
The XLogP value of 1.40722 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[(2,5-Dimethyl-4-nitropyrazole-3-carbonyl)amino]-3-(4-fluorophenyl)thiourea. The TPSA of 114.12 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[(2,5-Dimethyl-4-nitropyrazole-3-carbonyl)amino]-3-(4-fluorophenyl)thiourea. Following Lipinski's Rule of Five, 1-[(2,5-Dimethyl-4-nitropyrazole-3-carbonyl)amino]-3-(4-fluorophenyl)thiourea has 3 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-[(2,5-Dimethyl-4-nitropyrazole-3-carbonyl)amino]-3-(4-fluorophenyl)thiourea?
The CAS number of 1-[(2,5-Dimethyl-4-nitropyrazole-3-carbonyl)amino]-3-(4-fluorophenyl)thiourea is 957490-97-0.
What is the molecular formula of 1-[(2,5-Dimethyl-4-nitropyrazole-3-carbonyl)amino]-3-(4-fluorophenyl)thiourea?
The molecular formula of 1-[(2,5-Dimethyl-4-nitropyrazole-3-carbonyl)amino]-3-(4-fluorophenyl)thiourea is C13H13FN6O3S.
What is the molecular weight of 1-[(2,5-Dimethyl-4-nitropyrazole-3-carbonyl)amino]-3-(4-fluorophenyl)thiourea?
The molecular weight of 1-[(2,5-Dimethyl-4-nitropyrazole-3-carbonyl)amino]-3-(4-fluorophenyl)thiourea is 352.08 g/mol.
Where can I buy 1-[(2,5-Dimethyl-4-nitropyrazole-3-carbonyl)amino]-3-(4-fluorophenyl)thiourea?
You can request a quote for 1-[(2,5-Dimethyl-4-nitropyrazole-3-carbonyl)amino]-3-(4-fluorophenyl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(2,5-Dimethyl-4-nitropyrazole-3-carbonyl)amino]-3-(4-fluorophenyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-[(2,5-Dimethyl-4-nitropyrazole-3-carbonyl)amino]-3-(4-fluorophenyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.