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4-[(benzenesulfonyl)methyl]-3,5-dimethyl-1H-pyrazole
TL;DR: 4-[(benzenesulfonyl)methyl]-3,5-dimethyl-1H-pyrazole (CAS 321574-40-7) is a chemical compound with molecular formula C12H14N2O2S and molecular weight 250.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(benzenesulfonylmethyl)-3,5-dimethyl-1H-pyrazole
Also Known As: Bionet2_000932, 4-[(benzenesulfonyl)methyl]-3,5-dimethyl-1H-pyrazole, 4-(benzenesulfonylmethyl)-3,5-dimethyl-1H-pyrazole, 3,5-dimethyl-4-[(phenylsulfonyl)methyl]-1H-pyrazole
| Molecular Formula | C12H14N2O2S |
|---|---|
| Molecular Weight | 250.08 g/mol |
| LogP | 2.00044 |
| Topological Polar Surface Area | 62.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 250.0776 |
| Heavy Atoms | 17 |
| Complexity | 595.71014 |
Chemical Identifiers
| CAS Number | 321574-40-7 |
|---|---|
| SMILES | CC1=C(C(=NN1)C)CS(=O)(=O)C2=CC=CC=C2 |
Product Overview
4-[(benzenesulfonyl)methyl]-3,5-dimethyl-1H-pyrazole (CAS 321574-40-7), with molecular formula C12H14N2O2S and molecular weight 250.08 g/mol. IUPAC: 4-(benzenesulfonylmethyl)-3,5-dimethyl-1H-pyrazole.
Chemical Property Profile of 4-[(benzenesulfonyl)methyl]-3,5-dimethyl-1H-pyrazole
Property Insights of 4-[(benzenesulfonyl)methyl]-3,5-dimethyl-1H-pyrazole
The XLogP value of 2.00044 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(benzenesulfonyl)methyl]-3,5-dimethyl-1H-pyrazole. The TPSA of 62.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(benzenesulfonyl)methyl]-3,5-dimethyl-1H-pyrazole. Following Lipinski's Rule of Five, 4-[(benzenesulfonyl)methyl]-3,5-dimethyl-1H-pyrazole has 1 hydrogen bond donor(s) and 3 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-[(benzenesulfonyl)methyl]-3,5-dimethyl-1H-pyrazole?
The CAS number of 4-[(benzenesulfonyl)methyl]-3,5-dimethyl-1H-pyrazole is 321574-40-7.
What is the molecular formula of 4-[(benzenesulfonyl)methyl]-3,5-dimethyl-1H-pyrazole?
The molecular formula of 4-[(benzenesulfonyl)methyl]-3,5-dimethyl-1H-pyrazole is C12H14N2O2S.
What is the molecular weight of 4-[(benzenesulfonyl)methyl]-3,5-dimethyl-1H-pyrazole?
The molecular weight of 4-[(benzenesulfonyl)methyl]-3,5-dimethyl-1H-pyrazole is 250.08 g/mol.
Where can I buy 4-[(benzenesulfonyl)methyl]-3,5-dimethyl-1H-pyrazole?
You can request a quote for 4-[(benzenesulfonyl)methyl]-3,5-dimethyl-1H-pyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(benzenesulfonyl)methyl]-3,5-dimethyl-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 4-[(benzenesulfonyl)methyl]-3,5-dimethyl-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.