3-methyl-1-phenyl-1H-pyrazol-5-yl benzenesulfonate
TL;DR: 3-methyl-1-phenyl-1H-pyrazol-5-yl benzenesulfonate (CAS 23532-91-4) is a chemical compound with molecular formula C16H14N2O3S and molecular weight 314.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-methyl-2-phenylpyrazol-3-yl) benzenesulfonate
Also Known As: 3-methyl-1-phenyl-1H-pyrazol-5-yl benzenesulfonate, (5-methyl-2-phenylpyrazol-3-yl) benzenesulfonate, AQ-390/13304322
| Molecular Formula | C16H14N2O3S |
|---|---|
| Molecular Weight | 314.07 g/mol |
| LogP | 2.94842 |
| Topological Polar Surface Area | 61.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 314.0725 |
| Heavy Atoms | 22 |
| Complexity | 872.2691 |
Chemical Identifiers
| CAS Number | 23532-91-4 |
|---|---|
| SMILES | CC1=NN(C(=C1)OS(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3 |
Product Overview
3-methyl-1-phenyl-1H-pyrazol-5-yl benzenesulfonate (CAS 23532-91-4), with molecular formula C16H14N2O3S and molecular weight 314.07 g/mol. IUPAC: (5-methyl-2-phenylpyrazol-3-yl) benzenesulfonate.
Chemical Property Profile of 3-methyl-1-phenyl-1H-pyrazol-5-yl benzenesulfonate
Property Insights of 3-methyl-1-phenyl-1H-pyrazol-5-yl benzenesulfonate
The XLogP value of 2.94842 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-methyl-1-phenyl-1H-pyrazol-5-yl benzenesulfonate. The TPSA of 61.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-methyl-1-phenyl-1H-pyrazol-5-yl benzenesulfonate. Following Lipinski's Rule of Five, 3-methyl-1-phenyl-1H-pyrazol-5-yl benzenesulfonate has 0 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 3-methyl-1-phenyl-1H-pyrazol-5-yl benzenesulfonate?
The CAS number of 3-methyl-1-phenyl-1H-pyrazol-5-yl benzenesulfonate is 23532-91-4.
What is the molecular formula of 3-methyl-1-phenyl-1H-pyrazol-5-yl benzenesulfonate?
The molecular formula of 3-methyl-1-phenyl-1H-pyrazol-5-yl benzenesulfonate is C16H14N2O3S.
What is the molecular weight of 3-methyl-1-phenyl-1H-pyrazol-5-yl benzenesulfonate?
The molecular weight of 3-methyl-1-phenyl-1H-pyrazol-5-yl benzenesulfonate is 314.07 g/mol.
Where can I buy 3-methyl-1-phenyl-1H-pyrazol-5-yl benzenesulfonate?
You can request a quote for 3-methyl-1-phenyl-1H-pyrazol-5-yl benzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-methyl-1-phenyl-1H-pyrazol-5-yl benzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-1-phenyl-1H-pyrazol-5-yl benzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.