m-(4,5-Dihydro-3-methyl-1H-pyrazol-1-yl)benzenesulphonic acid
TL;DR: m-(4,5-Dihydro-3-methyl-1H-pyrazol-1-yl)benzenesulphonic acid (CAS 85554-80-9) is a chemical compound with molecular formula C10H12N2O3S and molecular weight 240.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(5-methyl-3,4-dihydropyrazol-2-yl)benzenesulfonic acid
Also Known As: EINECS 287-613-9, m-(4,5-Dihydro-3-methyl-1H-pyrazol-1-yl)benzenesulphonic acid, 3-(5-methyl-3,4-dihydropyrazol-2-yl)benzenesulfonic acid, 3-(3-methyl-4,5-dihydro-1H-pyrazol-1-yl)benzene-1-sulfonic acid, 3-(3-Methyl-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid
| Molecular Formula | C10H12N2O3S |
|---|---|
| Molecular Weight | 240.06 g/mol |
| LogP | 1.5193 |
| Topological Polar Surface Area | 69.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 240.05687 |
| Heavy Atoms | 16 |
| Complexity | 536.75006 |
Chemical Identifiers
| CAS Number | 85554-80-9 |
|---|---|
| SMILES | CC1=NN(CC1)C2=CC(=CC=C2)S(=O)(=O)O |
Product Overview
m-(4,5-Dihydro-3-methyl-1H-pyrazol-1-yl)benzenesulphonic acid (CAS 85554-80-9), with molecular formula C10H12N2O3S and molecular weight 240.06 g/mol. IUPAC: 3-(5-methyl-3,4-dihydropyrazol-2-yl)benzenesulfonic acid.
Chemical Property Profile of m-(4,5-Dihydro-3-methyl-1H-pyrazol-1-yl)benzenesulphonic acid
Property Insights of m-(4,5-Dihydro-3-methyl-1H-pyrazol-1-yl)benzenesulphonic acid
The XLogP value of 1.5193 suggests moderate lipophilicity, balancing water solubility and membrane permeability for m-(4,5-Dihydro-3-methyl-1H-pyrazol-1-yl)benzenesulphonic acid. The TPSA of 69.97 Ų falls within the moderate polarity range, balancing permeability and solubility for m-(4,5-Dihydro-3-methyl-1H-pyrazol-1-yl)benzenesulphonic acid. Following Lipinski's Rule of Five, m-(4,5-Dihydro-3-methyl-1H-pyrazol-1-yl)benzenesulphonic acid has 1 hydrogen bond donor(s) and 4 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 m-(4,5-Dihydro-3-methyl-1H-pyrazol-1-yl)benzenesulphonic acid?
The CAS number of m-(4,5-Dihydro-3-methyl-1H-pyrazol-1-yl)benzenesulphonic acid is 85554-80-9.
What is the molecular formula of m-(4,5-Dihydro-3-methyl-1H-pyrazol-1-yl)benzenesulphonic acid?
The molecular formula of m-(4,5-Dihydro-3-methyl-1H-pyrazol-1-yl)benzenesulphonic acid is C10H12N2O3S.
What is the molecular weight of m-(4,5-Dihydro-3-methyl-1H-pyrazol-1-yl)benzenesulphonic acid?
The molecular weight of m-(4,5-Dihydro-3-methyl-1H-pyrazol-1-yl)benzenesulphonic acid is 240.06 g/mol.
Where can I buy m-(4,5-Dihydro-3-methyl-1H-pyrazol-1-yl)benzenesulphonic acid?
You can request a quote for m-(4,5-Dihydro-3-methyl-1H-pyrazol-1-yl)benzenesulphonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for m-(4,5-Dihydro-3-methyl-1H-pyrazol-1-yl)benzenesulphonic acid?
Yes, KEHONG BIO provides custom synthesis services for m-(4,5-Dihydro-3-methyl-1H-pyrazol-1-yl)benzenesulphonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.