![1H-Pyrazole, 4,5-dihydro-3,5,5-trimethyl-1-[(4-methylphenyl)sulfonyl]- structure](/static/products/4035/4035-16-9.webp)
1H-Pyrazole, 4,5-dihydro-3,5,5-trimethyl-1-[(4-methylphenyl)sulfonyl]-
TL;DR: 1H-Pyrazole, 4,5-dihydro-3,5,5-trimethyl-1-[(4-methylphenyl)sulfonyl]- (CAS 4035-16-9) is a chemical compound with molecular formula C13H18N2O2S and molecular weight 266.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5,5-trimethyl-1-(4-methylphenyl)sulfonyl-4H-pyrazole
Also Known As: 1-Tosyl-3,5,5-trimethyl-2-pyrazoline, 3,5,5-trimethyl-1-(4-methylphenyl)sulfonyl-4H-pyrazole, 1H-Pyrazole, 4,5-dihydro-3,5,5-trimethyl-1-[(4-methylphenyl)sulfonyl]-, 3,5,5-trimethyl-1-(toluene-4-sulfonyl)-4,5-dihydro-1H-pyrazole, 3,5,5-Trimethyl-1-(4-methylbenzene-1-sulfonyl)-4,5-dihydro-1H-pyrazole
| Molecular Formula | C13H18N2O2S |
|---|---|
| Molecular Weight | 266.11 g/mol |
| LogP | 2.54392 |
| Topological Polar Surface Area | 49.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 266.1089 |
| Heavy Atoms | 18 |
| Complexity | 585.9222 |
Chemical Identifiers
| CAS Number | 4035-16-9 |
|---|---|
| SMILES | CC1=NN(C(C1)(C)C)S(=O)(=O)C2=CC=C(C=C2)C |
Product Overview
1H-Pyrazole, 4,5-dihydro-3,5,5-trimethyl-1-[(4-methylphenyl)sulfonyl]- (CAS 4035-16-9), with molecular formula C13H18N2O2S and molecular weight 266.11 g/mol. IUPAC: 3,5,5-trimethyl-1-(4-methylphenyl)sulfonyl-4H-pyrazole.
Chemical Property Profile of 1H-Pyrazole, 4,5-dihydro-3,5,5-trimethyl-1-[(4-methylphenyl)sulfonyl]-
Property Insights of 1H-Pyrazole, 4,5-dihydro-3,5,5-trimethyl-1-[(4-methylphenyl)sulfonyl]-
The XLogP value of 2.54392 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Pyrazole, 4,5-dihydro-3,5,5-trimethyl-1-[(4-methylphenyl)sulfonyl]-. With a topological polar surface area (TPSA) of 49.74 Ų, 1H-Pyrazole, 4,5-dihydro-3,5,5-trimethyl-1-[(4-methylphenyl)sulfonyl]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Pyrazole, 4,5-dihydro-3,5,5-trimethyl-1-[(4-methylphenyl)sulfonyl]- has 0 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 1H-Pyrazole, 4,5-dihydro-3,5,5-trimethyl-1-[(4-methylphenyl)sulfonyl]-?
The CAS number of 1H-Pyrazole, 4,5-dihydro-3,5,5-trimethyl-1-[(4-methylphenyl)sulfonyl]- is 4035-16-9.
What is the molecular formula of 1H-Pyrazole, 4,5-dihydro-3,5,5-trimethyl-1-[(4-methylphenyl)sulfonyl]-?
The molecular formula of 1H-Pyrazole, 4,5-dihydro-3,5,5-trimethyl-1-[(4-methylphenyl)sulfonyl]- is C13H18N2O2S.
What is the molecular weight of 1H-Pyrazole, 4,5-dihydro-3,5,5-trimethyl-1-[(4-methylphenyl)sulfonyl]-?
The molecular weight of 1H-Pyrazole, 4,5-dihydro-3,5,5-trimethyl-1-[(4-methylphenyl)sulfonyl]- is 266.11 g/mol.
Where can I buy 1H-Pyrazole, 4,5-dihydro-3,5,5-trimethyl-1-[(4-methylphenyl)sulfonyl]-?
You can request a quote for 1H-Pyrazole, 4,5-dihydro-3,5,5-trimethyl-1-[(4-methylphenyl)sulfonyl]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Pyrazole, 4,5-dihydro-3,5,5-trimethyl-1-[(4-methylphenyl)sulfonyl]-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Pyrazole, 4,5-dihydro-3,5,5-trimethyl-1-[(4-methylphenyl)sulfonyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.