AQ-088/41085802
TL;DR: AQ-088/41085802 (CAS 500265-11-2) is a chemical compound with molecular formula C21H20FN5O2S and molecular weight 425.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-[5-[2-(cyclopropylamino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]phenyl]-2-fluorobenzamide
Also Known As: AQ-088/41085802, N-[3-(5-{[2-(cyclopropylamino)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)phenyl]-2-fluorobenzamide, N-(3-(5-((2-(cyclopropylamino)-2-oxoethyl)thio)-4-methyl-4H-1,2,4-triazol-3-yl)phenyl)-2-fluorobenzamide, N-[3-(5-Cyclopropylcarbamoylmethylsulfanyl-4-methyl-4H-[1,2,4]triazol-3-yl)-phenyl]-2-fluoro-benzamide, N-[3-[5-[2-(cyclopropylamino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]phenyl]-2-fluorobenzamide
| Molecular Formula | C21H20FN5O2S |
|---|---|
| Molecular Weight | 425.13 g/mol |
| LogP | 3.2442 |
| Topological Polar Surface Area | 88.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 425.13217 |
| Heavy Atoms | 30 |
| Complexity | 1096.5057 |
Chemical Identifiers
| CAS Number | 500265-11-2 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)NC2CC2)C3=CC(=CC=C3)NC(=O)C4=CC=CC=C4F |
Product Overview
AQ-088/41085802 (CAS 500265-11-2), with molecular formula C21H20FN5O2S and molecular weight 425.13 g/mol. IUPAC: N-[3-[5-[2-(cyclopropylamino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]phenyl]-2-fluorobenzamide.
Chemical Property Profile of AQ-088/41085802
Property Insights of AQ-088/41085802
The XLogP value of 3.2442 indicates that AQ-088/41085802 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-088/41085802. Following Lipinski's Rule of Five, AQ-088/41085802 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-088/41085802?
The CAS number of AQ-088/41085802 is 500265-11-2.
What is the molecular formula of AQ-088/41085802?
The molecular formula of AQ-088/41085802 is C21H20FN5O2S.
What is the molecular weight of AQ-088/41085802?
The molecular weight of AQ-088/41085802 is 425.13 g/mol.
Where can I buy AQ-088/41085802?
You can request a quote for AQ-088/41085802 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AQ-088/41085802?
Yes, KEHONG BIO provides custom synthesis services for AQ-088/41085802 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.