AQ-088/41086583
TL;DR: AQ-088/41086583 (CAS 500265-61-2) is a chemical compound with molecular formula C22H24FN5O2S and molecular weight 441.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-[5-[2-(tert-butylamino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]phenyl]-2-fluorobenzamide
Also Known As: AQ-088/41086583, N-[3-(5-{[2-(tert-butylamino)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)phenyl]-2-fluorobenzamide, N-[3-[5-[2-(tert-butylamino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]phenyl]-2-fluorobenzamide, N-[3-(5-{[2-(tert-butylamino)-2-oxoethyl]thio}-4-methyl-4H-1,2,4-triazol-3-yl)phenyl]-2-fluorobenzamide, N-[3-[5-[[2-(tert-butylamino)-2-keto-ethyl]thio]-4-methyl-1,2,4-triazol-3-yl]phenyl]-2-fluoro-benzamide
| Molecular Formula | C22H24FN5O2S |
|---|---|
| Molecular Weight | 441.16 g/mol |
| LogP | 3.8803 |
| Topological Polar Surface Area | 88.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 441.16348 |
| Heavy Atoms | 31 |
| Complexity | 1107.2759 |
Chemical Identifiers
| CAS Number | 500265-61-2 |
|---|---|
| SMILES | CC(C)(C)NC(=O)CSC1=NN=C(N1C)C2=CC(=CC=C2)NC(=O)C3=CC=CC=C3F |
Product Overview
AQ-088/41086583 (CAS 500265-61-2), with molecular formula C22H24FN5O2S and molecular weight 441.16 g/mol. IUPAC: N-[3-[5-[2-(tert-butylamino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]phenyl]-2-fluorobenzamide.
Chemical Property Profile of AQ-088/41086583
Property Insights of AQ-088/41086583
The XLogP value of 3.8803 indicates that AQ-088/41086583 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-088/41086583. Following Lipinski's Rule of Five, AQ-088/41086583 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-088/41086583?
The CAS number of AQ-088/41086583 is 500265-61-2.
What is the molecular formula of AQ-088/41086583?
The molecular formula of AQ-088/41086583 is C22H24FN5O2S.
What is the molecular weight of AQ-088/41086583?
The molecular weight of AQ-088/41086583 is 441.16 g/mol.
Where can I buy AQ-088/41086583?
You can request a quote for AQ-088/41086583 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AQ-088/41086583?
Yes, KEHONG BIO provides custom synthesis services for AQ-088/41086583 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.