4-Trimethylsilyl-benzoylchlorid
TL;DR: 4-Trimethylsilyl-benzoylchlorid (CAS 178880-02-9) is a chemical compound with molecular formula C13H16N4O4S and molecular weight 324.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-methyl-3-[methyl(pyridin-2-yl)sulfamoyl]pyrazole-4-carboxylate
Also Known As: 4-Trimethylsilyl-benzoylchlorid, Ethyl 1-methyl-3-((methyl-2-pyridinylamino)sulfonyl)-1H-pyrazole-4-carboxylate, Ethyl 1-methyl-3-(N-methyl-N-2'-pyridyl)sufamoylpyrazole-4-carboxylate, 1H-Pyrazole-4-carboxylic acid, 1-methyl-3-((methyl-2-pyridinylamino)sulfonyl)-, ethyl ester, ethyl 1-methyl-3-[methyl(pyridin-2-yl)sulfamoyl]pyrazole-4-carboxylate
| Molecular Formula | C13H16N4O4S |
|---|---|
| Molecular Weight | 324.09 g/mol |
| LogP | 0.8169 |
| Topological Polar Surface Area | 94.39 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 324.08923 |
| Heavy Atoms | 22 |
| Complexity | 770.5927 |
Chemical Identifiers
| CAS Number | 178880-02-9 |
|---|---|
| SMILES | CCOC(=O)C1=CN(N=C1S(=O)(=O)N(C)C2=CC=CC=N2)C |
Product Overview
4-Trimethylsilyl-benzoylchlorid (CAS 178880-02-9), with molecular formula C13H16N4O4S and molecular weight 324.09 g/mol. IUPAC: ethyl 1-methyl-3-[methyl(pyridin-2-yl)sulfamoyl]pyrazole-4-carboxylate.
Chemical Property Profile of 4-Trimethylsilyl-benzoylchlorid
Property Insights of 4-Trimethylsilyl-benzoylchlorid
The XLogP value of 0.8169 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Trimethylsilyl-benzoylchlorid. The TPSA of 94.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Trimethylsilyl-benzoylchlorid. Following Lipinski's Rule of Five, 4-Trimethylsilyl-benzoylchlorid 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-Trimethylsilyl-benzoylchlorid?
The CAS number of 4-Trimethylsilyl-benzoylchlorid is 178880-02-9.
What is the molecular formula of 4-Trimethylsilyl-benzoylchlorid?
The molecular formula of 4-Trimethylsilyl-benzoylchlorid is C13H16N4O4S.
What is the molecular weight of 4-Trimethylsilyl-benzoylchlorid?
The molecular weight of 4-Trimethylsilyl-benzoylchlorid is 324.09 g/mol.
Where can I buy 4-Trimethylsilyl-benzoylchlorid?
You can request a quote for 4-Trimethylsilyl-benzoylchlorid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Trimethylsilyl-benzoylchlorid?
Yes, KEHONG BIO provides custom synthesis services for 4-Trimethylsilyl-benzoylchlorid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.