AQ-390/41639039
TL;DR: AQ-390/41639039 (CAS 518320-34-8) is a chemical compound with molecular formula C25H22N2O5S and molecular weight 462.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-N-(2,5-dimethylphenyl)sulfonylpyridine-4-carboxamide
Also Known As: AQ-390/41639039, N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-N-isonicotinoyl-2,5-dimethylbenzenesulfonamide, F1269-1608, N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-N-(2,5-dimethylphenyl)sulfonylpyridine-4-carboxamide, N-(3-ACETYL-2-METHYL-1-BENZOFURAN-5-YL)-N-(2,5-DIMETHYLBENZENESULFONYL)PYRIDINE-4-CARBOXAMIDE
| Molecular Formula | C25H22N2O5S |
|---|---|
| Molecular Weight | 462.12 g/mol |
| LogP | 4.99136 |
| Topological Polar Surface Area | 97.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 462.12494 |
| Heavy Atoms | 33 |
| Complexity | 1504.8446 |
Chemical Identifiers
| CAS Number | 518320-34-8 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)S(=O)(=O)N(C2=CC3=C(C=C2)OC(=C3C(=O)C)C)C(=O)C4=CC=NC=C4 |
Product Overview
AQ-390/41639039 (CAS 518320-34-8), with molecular formula C25H22N2O5S and molecular weight 462.12 g/mol. IUPAC: N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-N-(2,5-dimethylphenyl)sulfonylpyridine-4-carboxamide.
Chemical Property Profile of AQ-390/41639039
Property Insights of AQ-390/41639039
The XLogP value of 4.99136 indicates that AQ-390/41639039 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.55 Ų falls within the moderate polarity range, balancing permeability and solubility for AQ-390/41639039. Following Lipinski's Rule of Five, AQ-390/41639039 has 0 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-390/41639039?
The CAS number of AQ-390/41639039 is 518320-34-8.
What is the molecular formula of AQ-390/41639039?
The molecular formula of AQ-390/41639039 is C25H22N2O5S.
What is the molecular weight of AQ-390/41639039?
The molecular weight of AQ-390/41639039 is 462.12 g/mol.
Where can I buy AQ-390/41639039?
You can request a quote for AQ-390/41639039 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AQ-390/41639039?
Yes, KEHONG BIO provides custom synthesis services for AQ-390/41639039 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.