3-正-苯磺酰胺
TL;DR: 3-正-苯磺酰胺 (CAS 68003-42-9) is a chemical compound with molecular formula C12H15N3O4S and molecular weight 297.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-正-苯磺酰胺
N-(2-hydroxyethyl)-3-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonamide
Also Known As: 3-n- benzenesulphonamide, 3- -N- benzenesulphonamide, Benzenesulfonamide, 3-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-N-(2-hydroxyethyl)-, N-(2-Hydroxyethyl)-3-(3-methyl-5-oxo-2-pyrazolin-1-yl)benzenesulfonamide, 3-(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-N-(2-hydroxyethyl)benzenesulphonamide
| Molecular Formula | C12H15N3O4S |
|---|---|
| Molecular Weight | 297.08 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 297.07834 |
| Heavy Atoms | 20 |
| Complexity | 497.0 |
Chemical Identifiers
| CAS Number | 68003-42-9 |
|---|---|
| SMILES | CC1=NN(C(=O)C1)C2=CC(=CC=C2)S(=O)(=O)NCCO |
| InChIKey | NYCFXTHZFLCNSY-UHFFFAOYSA-N |
Product Overview
3-正-苯磺酰胺 (CAS 68003-42-9), with molecular formula C12H15N3O4S and molecular weight 297.08 g/mol. IUPAC: N-(2-hydroxyethyl)-3-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonamide.
Chemical Property Profile of 3-正-苯磺酰胺
Property Insights of 3-正-苯磺酰胺
The XLogP value of -0.4 indicates that 3-正-苯磺酰胺 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-正-苯磺酰胺. Following Lipinski's Rule of Five, 3-正-苯磺酰胺 has 2 hydrogen bond donor(s) and 6 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-正-苯磺酰胺?
The CAS number of 3-正-苯磺酰胺 is 68003-42-9.
What is the molecular formula of 3-正-苯磺酰胺?
The molecular formula of 3-正-苯磺酰胺 is C12H15N3O4S.
What is the molecular weight of 3-正-苯磺酰胺?
The molecular weight of 3-正-苯磺酰胺 is 297.08 g/mol.
Where can I buy 3-正-苯磺酰胺?
You can request a quote for 3-正-苯磺酰胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-正-苯磺酰胺?
Yes, KEHONG BIO provides custom synthesis services for 3-正-苯磺酰胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.