Ethyl 1-(3-methylphenyl)-5-(methylsulfonyl)-1H-pyrazole-4-carboxylate
TL;DR: Ethyl 1-(3-methylphenyl)-5-(methylsulfonyl)-1H-pyrazole-4-carboxylate (CAS 13686-07-2) is a chemical compound with molecular formula C14H16N2O4S and molecular weight 308.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-(3-methylphenyl)-5-methylsulfonylpyrazole-4-carboxylate
Also Known As: Ethyl 1-(3-methylphenyl)-5-(methylsulfonyl)-1H-pyrazole-4-carboxylate, 1H-Pyrazole-4-carboxylic acid, 1-(3-methylphenyl)-5-(methylsulfonyl)-, ethyl ester, ethyl 1-(3-methylphenyl)-5-methylsulfonylpyrazole-4-carboxylate, 3-Methyl-1-phenylcarbamoyl-2-oxopyrrolidin-3-carbonsaeure, 1H-Pyrazole-4-carboxylicacid, 1-(3-methylphenyl)-5-(methylsulfonyl)-, ethyl ester
| Molecular Formula | C14H16N2O4S |
|---|---|
| Molecular Weight | 308.08 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 86.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 308.08307 |
| Heavy Atoms | 21 |
| Complexity | 474.0 |
Chemical Identifiers
| CAS Number | 13686-07-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(N=C1)C2=CC=CC(=C2)C)S(=O)(=O)C |
| InChIKey | BNNQDLLALJEUMD-UHFFFAOYSA-N |
Product Overview
Ethyl 1-(3-methylphenyl)-5-(methylsulfonyl)-1H-pyrazole-4-carboxylate (CAS 13686-07-2), with molecular formula C14H16N2O4S and molecular weight 308.08 g/mol. IUPAC: ethyl 1-(3-methylphenyl)-5-methylsulfonylpyrazole-4-carboxylate.
Chemical Property Profile of Ethyl 1-(3-methylphenyl)-5-(methylsulfonyl)-1H-pyrazole-4-carboxylate
Property Insights of Ethyl 1-(3-methylphenyl)-5-(methylsulfonyl)-1H-pyrazole-4-carboxylate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 1-(3-methylphenyl)-5-(methylsulfonyl)-1H-pyrazole-4-carboxylate. The TPSA of 86.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 1-(3-methylphenyl)-5-(methylsulfonyl)-1H-pyrazole-4-carboxylate. Following Lipinski's Rule of Five, Ethyl 1-(3-methylphenyl)-5-(methylsulfonyl)-1H-pyrazole-4-carboxylate has 0 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 Ethyl 1-(3-methylphenyl)-5-(methylsulfonyl)-1H-pyrazole-4-carboxylate?
The CAS number of Ethyl 1-(3-methylphenyl)-5-(methylsulfonyl)-1H-pyrazole-4-carboxylate is 13686-07-2.
What is the molecular formula of Ethyl 1-(3-methylphenyl)-5-(methylsulfonyl)-1H-pyrazole-4-carboxylate?
The molecular formula of Ethyl 1-(3-methylphenyl)-5-(methylsulfonyl)-1H-pyrazole-4-carboxylate is C14H16N2O4S.
What is the molecular weight of Ethyl 1-(3-methylphenyl)-5-(methylsulfonyl)-1H-pyrazole-4-carboxylate?
The molecular weight of Ethyl 1-(3-methylphenyl)-5-(methylsulfonyl)-1H-pyrazole-4-carboxylate is 308.08 g/mol.
Where can I buy Ethyl 1-(3-methylphenyl)-5-(methylsulfonyl)-1H-pyrazole-4-carboxylate?
You can request a quote for Ethyl 1-(3-methylphenyl)-5-(methylsulfonyl)-1H-pyrazole-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 1-(3-methylphenyl)-5-(methylsulfonyl)-1H-pyrazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1-(3-methylphenyl)-5-(methylsulfonyl)-1H-pyrazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.