2-Methylsulfonyl-3,5-dithiophen-2-yl-3,4-dihydropyrazole
TL;DR: 2-Methylsulfonyl-3,5-dithiophen-2-yl-3,4-dihydropyrazole (CAS 511237-76-6) is a chemical compound with molecular formula C12H12N2O2S3 and molecular weight 312.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylsulfonyl-3,5-dithiophen-2-yl-3,4-dihydropyrazole
Also Known As: BAS 06208031, 2-methylsulfonyl-3,5-dithiophen-2-yl-3,4-dihydropyrazole, 1-(methylsulfonyl)-3,5-di(thiophen-2-yl)-4,5-dihydro-1H-pyrazole, 1-Methanesulfonyl-3,5-di-thiophen-2-yl-4,5-dihydro-1H-pyrazole
| Molecular Formula | C12H12N2O2S3 |
|---|---|
| Molecular Weight | 312.01 g/mol |
| LogP | 2.9203 |
| Topological Polar Surface Area | 49.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 312.0061 |
| Heavy Atoms | 19 |
| Complexity | 687.42975 |
Chemical Identifiers
| CAS Number | 511237-76-6 |
|---|---|
| SMILES | CS(=O)(=O)N1C(CC(=N1)C2=CC=CS2)C3=CC=CS3 |
Product Overview
2-Methylsulfonyl-3,5-dithiophen-2-yl-3,4-dihydropyrazole (CAS 511237-76-6), with molecular formula C12H12N2O2S3 and molecular weight 312.01 g/mol. IUPAC: 2-methylsulfonyl-3,5-dithiophen-2-yl-3,4-dihydropyrazole.
Chemical Property Profile of 2-Methylsulfonyl-3,5-dithiophen-2-yl-3,4-dihydropyrazole
Property Insights of 2-Methylsulfonyl-3,5-dithiophen-2-yl-3,4-dihydropyrazole
The XLogP value of 2.9203 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methylsulfonyl-3,5-dithiophen-2-yl-3,4-dihydropyrazole. With a topological polar surface area (TPSA) of 49.74 Ų, 2-Methylsulfonyl-3,5-dithiophen-2-yl-3,4-dihydropyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methylsulfonyl-3,5-dithiophen-2-yl-3,4-dihydropyrazole 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 2-Methylsulfonyl-3,5-dithiophen-2-yl-3,4-dihydropyrazole?
The CAS number of 2-Methylsulfonyl-3,5-dithiophen-2-yl-3,4-dihydropyrazole is 511237-76-6.
What is the molecular formula of 2-Methylsulfonyl-3,5-dithiophen-2-yl-3,4-dihydropyrazole?
The molecular formula of 2-Methylsulfonyl-3,5-dithiophen-2-yl-3,4-dihydropyrazole is C12H12N2O2S3.
What is the molecular weight of 2-Methylsulfonyl-3,5-dithiophen-2-yl-3,4-dihydropyrazole?
The molecular weight of 2-Methylsulfonyl-3,5-dithiophen-2-yl-3,4-dihydropyrazole is 312.01 g/mol.
Where can I buy 2-Methylsulfonyl-3,5-dithiophen-2-yl-3,4-dihydropyrazole?
You can request a quote for 2-Methylsulfonyl-3,5-dithiophen-2-yl-3,4-dihydropyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methylsulfonyl-3,5-dithiophen-2-yl-3,4-dihydropyrazole?
Yes, KEHONG BIO provides custom synthesis services for 2-Methylsulfonyl-3,5-dithiophen-2-yl-3,4-dihydropyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.