AQ-088/41086462
TL;DR: AQ-088/41086462 (CAS 500265-56-5) is a chemical compound with molecular formula C24H19F2N5O2S and molecular weight 479.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-fluoro-N-[3-[5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]phenyl]benzamide
Also Known As: AQ-088/41086462, 2-fluoro-N-(3-(5-((2-((2-fluorophenyl)amino)-2-oxoethyl)thio)-4-methyl-4H-1,2,4-triazol-3-yl)phenyl)benzamide, 2-fluoro-N-[3-(5-{[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)phenyl]benzamide, 2-fluoro-N-[3-[5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]phenyl]benzamide, 2-fluoro-N-{3-[5-({2-[(2-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]phenyl}benzamide
| Molecular Formula | C24H19F2N5O2S |
|---|---|
| Molecular Weight | 479.12 g/mol |
| LogP | 4.7434 |
| Topological Polar Surface Area | 88.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 479.12274 |
| Heavy Atoms | 34 |
| Complexity | 1358.7101 |
Chemical Identifiers
| CAS Number | 500265-56-5 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2F)C3=CC(=CC=C3)NC(=O)C4=CC=CC=C4F |
Product Overview
AQ-088/41086462 (CAS 500265-56-5), with molecular formula C24H19F2N5O2S and molecular weight 479.12 g/mol. IUPAC: 2-fluoro-N-[3-[5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]phenyl]benzamide.
Chemical Property Profile of AQ-088/41086462
Property Insights of AQ-088/41086462
The XLogP value of 4.7434 indicates that AQ-088/41086462 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.91 Ų falls within the moderate polarity range, balancing permeability and solubility for AQ-088/41086462. Following Lipinski's Rule of Five, AQ-088/41086462 has 2 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-088/41086462?
The CAS number of AQ-088/41086462 is 500265-56-5.
What is the molecular formula of AQ-088/41086462?
The molecular formula of AQ-088/41086462 is C24H19F2N5O2S.
What is the molecular weight of AQ-088/41086462?
The molecular weight of AQ-088/41086462 is 479.12 g/mol.
Where can I buy AQ-088/41086462?
You can request a quote for AQ-088/41086462 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AQ-088/41086462?
Yes, KEHONG BIO provides custom synthesis services for AQ-088/41086462 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.