(4-Nitrophenyl) 5-chloro-1,3-dimethylpyrazole-4-sulfonate
TL;DR: (4-Nitrophenyl) 5-chloro-1,3-dimethylpyrazole-4-sulfonate (CAS 647825-44-3) is a chemical compound with molecular formula C11H10ClN3O5S and molecular weight 331.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl) 5-chloro-1,3-dimethylpyrazole-4-sulfonate
Also Known As: (4-nitrophenyl) 5-chloro-1,3-dimethylpyrazole-4-sulfonate, 4-nitrophenyl 5-chloro-1,3-dimethyl-1h-pyrazole-4-sulfonate, 4-nitrophenyl 5-chloro-1,3-dimethylpyrazole-4-sulfonate, 5-chloro-1,3-dimethyl-4-(4-nitrophenoxy)sulfonyl-pyrazole, 4-nitrophenyl 5-chloro-1,3-dimethyl-1H-pyrazole-4-sulphonate
| Molecular Formula | C11H10ClN3O5S |
|---|---|
| Molecular Weight | 331.00 g/mol |
| LogP | 2.05782 |
| Topological Polar Surface Area | 104.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 331.00296 |
| Heavy Atoms | 21 |
| Complexity | 798.01135 |
Chemical Identifiers
| CAS Number | 647825-44-3 |
|---|---|
| SMILES | CC1=NN(C(=C1S(=O)(=O)OC2=CC=C(C=C2)[N+](=O)[O-])Cl)C |
Product Overview
(4-Nitrophenyl) 5-chloro-1,3-dimethylpyrazole-4-sulfonate (CAS 647825-44-3), with molecular formula C11H10ClN3O5S and molecular weight 331.00 g/mol. IUPAC: (4-nitrophenyl) 5-chloro-1,3-dimethylpyrazole-4-sulfonate.
Chemical Property Profile of (4-Nitrophenyl) 5-chloro-1,3-dimethylpyrazole-4-sulfonate
Property Insights of (4-Nitrophenyl) 5-chloro-1,3-dimethylpyrazole-4-sulfonate
The XLogP value of 2.05782 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Nitrophenyl) 5-chloro-1,3-dimethylpyrazole-4-sulfonate. The TPSA of 104.33 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Nitrophenyl) 5-chloro-1,3-dimethylpyrazole-4-sulfonate. Following Lipinski's Rule of Five, (4-Nitrophenyl) 5-chloro-1,3-dimethylpyrazole-4-sulfonate has 0 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-Nitrophenyl) 5-chloro-1,3-dimethylpyrazole-4-sulfonate?
The CAS number of (4-Nitrophenyl) 5-chloro-1,3-dimethylpyrazole-4-sulfonate is 647825-44-3.
What is the molecular formula of (4-Nitrophenyl) 5-chloro-1,3-dimethylpyrazole-4-sulfonate?
The molecular formula of (4-Nitrophenyl) 5-chloro-1,3-dimethylpyrazole-4-sulfonate is C11H10ClN3O5S.
What is the molecular weight of (4-Nitrophenyl) 5-chloro-1,3-dimethylpyrazole-4-sulfonate?
The molecular weight of (4-Nitrophenyl) 5-chloro-1,3-dimethylpyrazole-4-sulfonate is 331.00 g/mol.
Where can I buy (4-Nitrophenyl) 5-chloro-1,3-dimethylpyrazole-4-sulfonate?
You can request a quote for (4-Nitrophenyl) 5-chloro-1,3-dimethylpyrazole-4-sulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Nitrophenyl) 5-chloro-1,3-dimethylpyrazole-4-sulfonate?
Yes, KEHONG BIO provides custom synthesis services for (4-Nitrophenyl) 5-chloro-1,3-dimethylpyrazole-4-sulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.