![4-bromo-N-[(2,4-dimethyl-6-nitrophenyl)carbamothioyl]-1-ethylpyrazole-3-carboxamide structure](/static/products/5128/512807-31-7.webp)
4-bromo-N-[(2,4-dimethyl-6-nitrophenyl)carbamothioyl]-1-ethylpyrazole-3-carboxamide
TL;DR: 4-bromo-N-[(2,4-dimethyl-6-nitrophenyl)carbamothioyl]-1-ethylpyrazole-3-carboxamide (CAS 512807-31-7) is a chemical compound with molecular formula C15H16BrN5O3S and molecular weight 425.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-N-[(2,4-dimethyl-6-nitrophenyl)carbamothioyl]-1-ethylpyrazole-3-carboxamide
Also Known As: 4-bromo-N-[(2,4-dimethyl-6-nitrophenyl)carbamothioyl]-1-ethylpyrazole-3-carboxamide, N-[(4-bromo-1-ethyl-1H-pyrazol-3-yl)carbonyl]-N'-{2-nitro-4,6-dimethylphenyl}thiourea, 4-bromo-N-[(2,4-dimethyl-6-nitrophenyl)carbamothioyl]-1-ethyl-1H-pyrazole-3-carboxamide, N-[(4-BROMO-1-ETHYL-1H-PYRAZOL-3-YL)CARBONYL]-N'-(2,4-DIMETHYL-6-NITROPHENYL)THIOUREA
| Molecular Formula | C15H16BrN5O3S |
|---|---|
| Molecular Weight | 425.02 g/mol |
| LogP | 3.31734 |
| Topological Polar Surface Area | 102.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 425.01572 |
| Heavy Atoms | 25 |
| Complexity | 865.092 |
Chemical Identifiers
| CAS Number | 512807-31-7 |
|---|---|
| SMILES | CCN1C=C(C(=N1)C(=O)NC(=S)NC2=C(C=C(C=C2[N+](=O)[O-])C)C)Br |
Product Overview
4-bromo-N-[(2,4-dimethyl-6-nitrophenyl)carbamothioyl]-1-ethylpyrazole-3-carboxamide (CAS 512807-31-7), with molecular formula C15H16BrN5O3S and molecular weight 425.02 g/mol. IUPAC: 4-bromo-N-[(2,4-dimethyl-6-nitrophenyl)carbamothioyl]-1-ethylpyrazole-3-carboxamide.
Chemical Property Profile of 4-bromo-N-[(2,4-dimethyl-6-nitrophenyl)carbamothioyl]-1-ethylpyrazole-3-carboxamide
Property Insights of 4-bromo-N-[(2,4-dimethyl-6-nitrophenyl)carbamothioyl]-1-ethylpyrazole-3-carboxamide
The XLogP value of 3.31734 indicates that 4-bromo-N-[(2,4-dimethyl-6-nitrophenyl)carbamothioyl]-1-ethylpyrazole-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.09 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-bromo-N-[(2,4-dimethyl-6-nitrophenyl)carbamothioyl]-1-ethylpyrazole-3-carboxamide. Following Lipinski's Rule of Five, 4-bromo-N-[(2,4-dimethyl-6-nitrophenyl)carbamothioyl]-1-ethylpyrazole-3-carboxamide 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 4-bromo-N-[(2,4-dimethyl-6-nitrophenyl)carbamothioyl]-1-ethylpyrazole-3-carboxamide?
The CAS number of 4-bromo-N-[(2,4-dimethyl-6-nitrophenyl)carbamothioyl]-1-ethylpyrazole-3-carboxamide is 512807-31-7.
What is the molecular formula of 4-bromo-N-[(2,4-dimethyl-6-nitrophenyl)carbamothioyl]-1-ethylpyrazole-3-carboxamide?
The molecular formula of 4-bromo-N-[(2,4-dimethyl-6-nitrophenyl)carbamothioyl]-1-ethylpyrazole-3-carboxamide is C15H16BrN5O3S.
What is the molecular weight of 4-bromo-N-[(2,4-dimethyl-6-nitrophenyl)carbamothioyl]-1-ethylpyrazole-3-carboxamide?
The molecular weight of 4-bromo-N-[(2,4-dimethyl-6-nitrophenyl)carbamothioyl]-1-ethylpyrazole-3-carboxamide is 425.02 g/mol.
Where can I buy 4-bromo-N-[(2,4-dimethyl-6-nitrophenyl)carbamothioyl]-1-ethylpyrazole-3-carboxamide?
You can request a quote for 4-bromo-N-[(2,4-dimethyl-6-nitrophenyl)carbamothioyl]-1-ethylpyrazole-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-bromo-N-[(2,4-dimethyl-6-nitrophenyl)carbamothioyl]-1-ethylpyrazole-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 4-bromo-N-[(2,4-dimethyl-6-nitrophenyl)carbamothioyl]-1-ethylpyrazole-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.