![4-chloro-N-[(3-chloro-2-hydroxy-5-nitrophenyl)carbamothioyl]-2,5-dimethylpyrazole-3-carboxamide structure](/static/products/4947/494746-48-4.webp)
4-chloro-N-[(3-chloro-2-hydroxy-5-nitrophenyl)carbamothioyl]-2,5-dimethylpyrazole-3-carboxamide
TL;DR: 4-chloro-N-[(3-chloro-2-hydroxy-5-nitrophenyl)carbamothioyl]-2,5-dimethylpyrazole-3-carboxamide (CAS 494746-48-4) is a chemical compound with molecular formula C13H11Cl2N5O4S and molecular weight 402.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N-[(3-chloro-2-hydroxy-5-nitrophenyl)carbamothioyl]-1,3-dimethylpyrazole-5-carboxamide
Also Known As: 4-chloro-N-[(3-chloro-2-hydroxy-5-nitrophenyl)carbamothioyl]-2,5-dimethylpyrazole-3-carboxamide, 4-chloro-N-[(3-chloro-2-hydroxy-5-nitrophenyl)carbamothioyl]-1,3-dimethyl-1H-pyrazole-5-carboxamide, 4-chloro-N-[(3-chloro-2-hydroxy-5-nitro-phenyl)thiocarbamoyl]-2,5-dimethyl-pyrazole-3-carboxamide, N-[(4-CHLORO-1,3-DIMETHYL-1H-PYRAZOL-5-YL)CARBONYL]-N'-(3-CHLORO-2-HYDROXY-5-NITROPHENYL)THIOUREA, N-[(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]-N'-{3-chloro-2-hydroxy-5-nitrophenyl}thiourea
| Molecular Formula | C13H11Cl2N5O4S |
|---|---|
| Molecular Weight | 402.99 g/mol |
| LogP | 2.77592 |
| Topological Polar Surface Area | 122.32 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 402.99088 |
| Heavy Atoms | 25 |
| Complexity | 899.0299 |
Chemical Identifiers
| CAS Number | 494746-48-4 |
|---|---|
| SMILES | CC1=NN(C(=C1Cl)C(=O)NC(=S)NC2=C(C(=CC(=C2)[N+](=O)[O-])Cl)O)C |
Product Overview
4-chloro-N-[(3-chloro-2-hydroxy-5-nitrophenyl)carbamothioyl]-2,5-dimethylpyrazole-3-carboxamide (CAS 494746-48-4), with molecular formula C13H11Cl2N5O4S and molecular weight 402.99 g/mol. IUPAC: 4-chloro-N-[(3-chloro-2-hydroxy-5-nitrophenyl)carbamothioyl]-1,3-dimethylpyrazole-5-carboxamide.
Chemical Property Profile of 4-chloro-N-[(3-chloro-2-hydroxy-5-nitrophenyl)carbamothioyl]-2,5-dimethylpyrazole-3-carboxamide
Property Insights of 4-chloro-N-[(3-chloro-2-hydroxy-5-nitrophenyl)carbamothioyl]-2,5-dimethylpyrazole-3-carboxamide
The XLogP value of 2.77592 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-chloro-N-[(3-chloro-2-hydroxy-5-nitrophenyl)carbamothioyl]-2,5-dimethylpyrazole-3-carboxamide. The TPSA of 122.32 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-chloro-N-[(3-chloro-2-hydroxy-5-nitrophenyl)carbamothioyl]-2,5-dimethylpyrazole-3-carboxamide. Following Lipinski's Rule of Five, 4-chloro-N-[(3-chloro-2-hydroxy-5-nitrophenyl)carbamothioyl]-2,5-dimethylpyrazole-3-carboxamide has 3 hydrogen bond donor(s) and 6 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-chloro-N-[(3-chloro-2-hydroxy-5-nitrophenyl)carbamothioyl]-2,5-dimethylpyrazole-3-carboxamide?
The CAS number of 4-chloro-N-[(3-chloro-2-hydroxy-5-nitrophenyl)carbamothioyl]-2,5-dimethylpyrazole-3-carboxamide is 494746-48-4.
What is the molecular formula of 4-chloro-N-[(3-chloro-2-hydroxy-5-nitrophenyl)carbamothioyl]-2,5-dimethylpyrazole-3-carboxamide?
The molecular formula of 4-chloro-N-[(3-chloro-2-hydroxy-5-nitrophenyl)carbamothioyl]-2,5-dimethylpyrazole-3-carboxamide is C13H11Cl2N5O4S.
What is the molecular weight of 4-chloro-N-[(3-chloro-2-hydroxy-5-nitrophenyl)carbamothioyl]-2,5-dimethylpyrazole-3-carboxamide?
The molecular weight of 4-chloro-N-[(3-chloro-2-hydroxy-5-nitrophenyl)carbamothioyl]-2,5-dimethylpyrazole-3-carboxamide is 402.99 g/mol.
Where can I buy 4-chloro-N-[(3-chloro-2-hydroxy-5-nitrophenyl)carbamothioyl]-2,5-dimethylpyrazole-3-carboxamide?
You can request a quote for 4-chloro-N-[(3-chloro-2-hydroxy-5-nitrophenyl)carbamothioyl]-2,5-dimethylpyrazole-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-chloro-N-[(3-chloro-2-hydroxy-5-nitrophenyl)carbamothioyl]-2,5-dimethylpyrazole-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 4-chloro-N-[(3-chloro-2-hydroxy-5-nitrophenyl)carbamothioyl]-2,5-dimethylpyrazole-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.