AQ-390/42698804
TL;DR: AQ-390/42698804 (CAS 794552-46-8) is a chemical compound with molecular formula C18H18FN3O3S and molecular weight 375.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-fluoro-3-methylbenzenesulfonamide
Also Known As: AQ-390/42698804, N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4-fluoro-3-methylbenzenesulfonamide, N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-fluoro-3-methylbenzenesulfonamide
| Molecular Formula | C18H18FN3O3S |
|---|---|
| Molecular Weight | 375.11 g/mol |
| LogP | 2.73274 |
| Topological Polar Surface Area | 73.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 375.1053 |
| Heavy Atoms | 26 |
| Complexity | 1132.4783 |
Chemical Identifiers
| CAS Number | 794552-46-8 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)S(=O)(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)F |
Product Overview
AQ-390/42698804 (CAS 794552-46-8), with molecular formula C18H18FN3O3S and molecular weight 375.11 g/mol. IUPAC: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-fluoro-3-methylbenzenesulfonamide.
Chemical Property Profile of AQ-390/42698804
Property Insights of AQ-390/42698804
The XLogP value of 2.73274 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AQ-390/42698804. The TPSA of 73.1 Ų falls within the moderate polarity range, balancing permeability and solubility for AQ-390/42698804. Following Lipinski's Rule of Five, AQ-390/42698804 has 1 hydrogen bond donor(s) and 3 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 AQ-390/42698804?
The CAS number of AQ-390/42698804 is 794552-46-8.
What is the molecular formula of AQ-390/42698804?
The molecular formula of AQ-390/42698804 is C18H18FN3O3S.
What is the molecular weight of AQ-390/42698804?
The molecular weight of AQ-390/42698804 is 375.11 g/mol.
Where can I buy AQ-390/42698804?
You can request a quote for AQ-390/42698804 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AQ-390/42698804?
Yes, KEHONG BIO provides custom synthesis services for AQ-390/42698804 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.