AQ-390/42425854
TL;DR: AQ-390/42425854 (CAS 494826-95-8) is a chemical compound with molecular formula C21H23NO5S and molecular weight 401.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-methyl-5-[(2,4,5-trimethylphenyl)sulfonylamino]-1-benzofuran-3-carboxylate
Also Known As: AQ-390/42425854, ETHYL 2-METHYL-5-(2,4,5-TRIMETHYLBENZENESULFONAMIDO)-1-BENZOFURAN-3-CARBOXYLATE, ethyl 2-methyl-5-{[(2,4,5-trimethylphenyl)sulfonyl]amino}-1-benzofuran-3-carboxylate, ethyl 2-methyl-5-(2,4,5-trimethylphenylsulfonamido)benzofuran-3-carboxylate, F1269-0098
| Molecular Formula | C21H23NO5S |
|---|---|
| Molecular Weight | 401.13 g/mol |
| LogP | 4.64398 |
| Topological Polar Surface Area | 85.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 401.1297 |
| Heavy Atoms | 28 |
| Complexity | 1175.2144 |
Chemical Identifiers
| CAS Number | 494826-95-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC2=C1C=C(C=C2)NS(=O)(=O)C3=C(C=C(C(=C3)C)C)C)C |
Product Overview
AQ-390/42425854 (CAS 494826-95-8), with molecular formula C21H23NO5S and molecular weight 401.13 g/mol. IUPAC: ethyl 2-methyl-5-[(2,4,5-trimethylphenyl)sulfonylamino]-1-benzofuran-3-carboxylate.
Chemical Property Profile of AQ-390/42425854
Property Insights of AQ-390/42425854
The XLogP value of 4.64398 indicates that AQ-390/42425854 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.61 Ų falls within the moderate polarity range, balancing permeability and solubility for AQ-390/42425854. Following Lipinski's Rule of Five, AQ-390/42425854 has 1 hydrogen bond donor(s) and 5 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-390/42425854?
The CAS number of AQ-390/42425854 is 494826-95-8.
What is the molecular formula of AQ-390/42425854?
The molecular formula of AQ-390/42425854 is C21H23NO5S.
What is the molecular weight of AQ-390/42425854?
The molecular weight of AQ-390/42425854 is 401.13 g/mol.
Where can I buy AQ-390/42425854?
You can request a quote for AQ-390/42425854 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AQ-390/42425854?
Yes, KEHONG BIO provides custom synthesis services for AQ-390/42425854 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.