AQ-390/42709092
TL;DR: AQ-390/42709092 (CAS 670267-86-4) is a chemical compound with molecular formula C18H20N4O3S2 and molecular weight 404.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-hydroxy-3-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]-2,3,5,6-tetramethylbenzenesulfonamide
Also Known As: AQ-390/42709092, N-[4-hydroxy-3-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]-2,3,5,6-tetramethylbenzenesulfonamide, N-[4-hydroxy-3-(1H-1,2,4-triazol-3-ylsulfanyl)phenyl]-2,3,5,6-tetramethylbenzenesulfonamide
| Molecular Formula | C18H20N4O3S2 |
|---|---|
| Molecular Weight | 404.10 g/mol |
| LogP | 3.69598 |
| Topological Polar Surface Area | 107.97 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 404.0977 |
| Heavy Atoms | 27 |
| Complexity | 1068.0397 |
Chemical Identifiers
| CAS Number | 670267-86-4 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1C)S(=O)(=O)NC2=CC(=C(C=C2)O)SC3=NC=NN3)C)C |
Product Overview
AQ-390/42709092 (CAS 670267-86-4), with molecular formula C18H20N4O3S2 and molecular weight 404.10 g/mol. IUPAC: N-[4-hydroxy-3-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]-2,3,5,6-tetramethylbenzenesulfonamide.
Chemical Property Profile of AQ-390/42709092
Property Insights of AQ-390/42709092
The XLogP value of 3.69598 indicates that AQ-390/42709092 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.97 Ų falls within the moderate polarity range, balancing permeability and solubility for AQ-390/42709092. Following Lipinski's Rule of Five, AQ-390/42709092 has 3 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 AQ-390/42709092?
The CAS number of AQ-390/42709092 is 670267-86-4.
What is the molecular formula of AQ-390/42709092?
The molecular formula of AQ-390/42709092 is C18H20N4O3S2.
What is the molecular weight of AQ-390/42709092?
The molecular weight of AQ-390/42709092 is 404.10 g/mol.
Where can I buy AQ-390/42709092?
You can request a quote for AQ-390/42709092 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AQ-390/42709092?
Yes, KEHONG BIO provides custom synthesis services for AQ-390/42709092 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.