2-(3,4-Dimethyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid
TL;DR: 2-(3,4-Dimethyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid (CAS 99595-95-6) is a chemical compound with molecular formula C11H12N2O4S and molecular weight 268.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,4-dimethyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonic acid
Also Known As: EINECS 308-990-9, 2-(3,4-Dimethyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid, (4,5-Dihydro-3,4-dimethyl-5-oxo-1H-pyrazol-1-yl)benzenesulphonic acid, 2-(3,4-dimethyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonic acid, (4,5-DIHYDRO-3,4-DIMETHYL-5-OXO-1H-PYRAZOL-1-YL)BENZENESULFONIC ACID
| Molecular Formula | C11H12N2O4S |
|---|---|
| Molecular Weight | 268.05 g/mol |
| LogP | 1.2919 |
| Topological Polar Surface Area | 87.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 268.0518 |
| Heavy Atoms | 18 |
| Complexity | 636.19824 |
Chemical Identifiers
| CAS Number | 99595-95-6 |
|---|---|
| SMILES | CC1C(=NN(C1=O)C2=CC=CC=C2S(=O)(=O)O)C |
Product Overview
2-(3,4-Dimethyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid (CAS 99595-95-6), with molecular formula C11H12N2O4S and molecular weight 268.05 g/mol. IUPAC: 2-(3,4-dimethyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonic acid.
Chemical Property Profile of 2-(3,4-Dimethyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid
Property Insights of 2-(3,4-Dimethyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid
The XLogP value of 1.2919 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3,4-Dimethyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid. The TPSA of 87.04 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3,4-Dimethyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid. Following Lipinski's Rule of Five, 2-(3,4-Dimethyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic 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 2-(3,4-Dimethyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid?
The CAS number of 2-(3,4-Dimethyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid is 99595-95-6.
What is the molecular formula of 2-(3,4-Dimethyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid?
The molecular formula of 2-(3,4-Dimethyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid is C11H12N2O4S.
What is the molecular weight of 2-(3,4-Dimethyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid?
The molecular weight of 2-(3,4-Dimethyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid is 268.05 g/mol.
Where can I buy 2-(3,4-Dimethyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid?
You can request a quote for 2-(3,4-Dimethyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3,4-Dimethyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(3,4-Dimethyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.