AQ-390/42708951
TL;DR: AQ-390/42708951 (CAS 701940-10-5) is a chemical compound with molecular formula C16H16N4O3S2 and molecular weight 376.07 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]-2,5-dimethylbenzenesulfonamide
Also Known As: AQ-390/42708951, N-[4-hydroxy-3-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]-2,5-dimethylbenzenesulfonamide, N-[4-hydroxy-3-(1H-1,2,4-triazol-3-ylthio)phenyl]-2,5-dimethylbenzenesulfonamide, 2,5-dimethyl-N-[4-oxidanyl-3-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]benzenesulfonamide, N-[4-hydroxy-3-(1H-1,2,4-triazol-3-ylsulfanyl)phenyl]-2,5-dimethyl-1-benzenesulfonamide
| Molecular Formula | C16H16N4O3S2 |
|---|---|
| Molecular Weight | 376.07 g/mol |
| LogP | 3.07914 |
| Topological Polar Surface Area | 107.97 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 376.06638 |
| Heavy Atoms | 25 |
| Complexity | 1002.22424 |
Chemical Identifiers
| CAS Number | 701940-10-5 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)S(=O)(=O)NC2=CC(=C(C=C2)O)SC3=NC=NN3 |
Product Overview
AQ-390/42708951 (CAS 701940-10-5), with molecular formula C16H16N4O3S2 and molecular weight 376.07 g/mol. IUPAC: N-[4-hydroxy-3-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]-2,5-dimethylbenzenesulfonamide.
Chemical Property Profile of AQ-390/42708951
Property Insights of AQ-390/42708951
The XLogP value of 3.07914 indicates that AQ-390/42708951 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-390/42708951. Following Lipinski's Rule of Five, AQ-390/42708951 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-390/42708951?
The CAS number of AQ-390/42708951 is 701940-10-5.
What is the molecular formula of AQ-390/42708951?
The molecular formula of AQ-390/42708951 is C16H16N4O3S2.
What is the molecular weight of AQ-390/42708951?
The molecular weight of AQ-390/42708951 is 376.07 g/mol.
Where can I buy AQ-390/42708951?
You can request a quote for AQ-390/42708951 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AQ-390/42708951?
Yes, KEHONG BIO provides custom synthesis services for AQ-390/42708951 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.