AQ-390/41639180
TL;DR: AQ-390/41639180 (CAS 518319-96-5) is a chemical compound with molecular formula C24H27NO6S and molecular weight 457.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-[butanoyl-(2,4,5-trimethylphenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate
Also Known As: AQ-390/41639180, F1269-1570, METHYL 2-METHYL-5-[N-(2,4,5-TRIMETHYLBENZENESULFONYL)BUTANAMIDO]-1-BENZOFURAN-3-CARBOXYLATE, methyl 5-{butyryl[(2,4,5-trimethylphenyl)sulfonyl]amino}-2-methyl-1-benzofuran-3-carboxylate, methyl 2-methyl-5-(N-((2,4,5-trimethylphenyl)sulfonyl)butyramido)benzofuran-3-carboxylate
| Molecular Formula | C24H27NO6S |
|---|---|
| Molecular Weight | 457.16 g/mol |
| LogP | 4.97508 |
| Topological Polar Surface Area | 93.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 457.1559 |
| Heavy Atoms | 32 |
| Complexity | 1319.9983 |
Chemical Identifiers
| CAS Number | 518319-96-5 |
|---|---|
| SMILES | CCCC(=O)N(C1=CC2=C(C=C1)OC(=C2C(=O)OC)C)S(=O)(=O)C3=C(C=C(C(=C3)C)C)C |
Product Overview
AQ-390/41639180 (CAS 518319-96-5), with molecular formula C24H27NO6S and molecular weight 457.16 g/mol. IUPAC: methyl 5-[butanoyl-(2,4,5-trimethylphenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate.
Chemical Property Profile of AQ-390/41639180
Property Insights of AQ-390/41639180
The XLogP value of 4.97508 indicates that AQ-390/41639180 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.89 Ų falls within the moderate polarity range, balancing permeability and solubility for AQ-390/41639180. Following Lipinski's Rule of Five, AQ-390/41639180 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-390/41639180?
The CAS number of AQ-390/41639180 is 518319-96-5.
What is the molecular formula of AQ-390/41639180?
The molecular formula of AQ-390/41639180 is C24H27NO6S.
What is the molecular weight of AQ-390/41639180?
The molecular weight of AQ-390/41639180 is 457.16 g/mol.
Where can I buy AQ-390/41639180?
You can request a quote for AQ-390/41639180 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AQ-390/41639180?
Yes, KEHONG BIO provides custom synthesis services for AQ-390/41639180 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.