AQ-390/42869137
TL;DR: AQ-390/42869137 (CAS 714263-11-3) is a chemical compound with molecular formula C21H17N3O4S2 and molecular weight 439.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-methyl-2-oxobenzo[cd]indole-6-sulfonamide
Also Known As: AQ-390/42869137, N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-methyl-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide, N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-methyl-2-oxobenzo[cd]indole-6-sulfonamide
| Molecular Formula | C21H17N3O4S2 |
|---|---|
| Molecular Weight | 439.07 g/mol |
| LogP | 4.239 |
| Topological Polar Surface Area | 88.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 439.06604 |
| Heavy Atoms | 30 |
| Complexity | 1443.6935 |
Chemical Identifiers
| CAS Number | 714263-11-3 |
|---|---|
| SMILES | CCOC1=CC2=C(C=C1)N=C(S2)NS(=O)(=O)C3=C4C=CC=C5C4=C(C=C3)N(C5=O)C |
Product Overview
AQ-390/42869137 (CAS 714263-11-3), with molecular formula C21H17N3O4S2 and molecular weight 439.07 g/mol. IUPAC: N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-methyl-2-oxobenzo[cd]indole-6-sulfonamide.
Chemical Property Profile of AQ-390/42869137
Property Insights of AQ-390/42869137
The XLogP value of 4.239 indicates that AQ-390/42869137 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.6 Ų falls within the moderate polarity range, balancing permeability and solubility for AQ-390/42869137. Following Lipinski's Rule of Five, AQ-390/42869137 has 1 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-390/42869137?
The CAS number of AQ-390/42869137 is 714263-11-3.
What is the molecular formula of AQ-390/42869137?
The molecular formula of AQ-390/42869137 is C21H17N3O4S2.
What is the molecular weight of AQ-390/42869137?
The molecular weight of AQ-390/42869137 is 439.07 g/mol.
Where can I buy AQ-390/42869137?
You can request a quote for AQ-390/42869137 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AQ-390/42869137?
Yes, KEHONG BIO provides custom synthesis services for AQ-390/42869137 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.