AQ-088/41085298
TL;DR: AQ-088/41085298 (CAS 500264-89-1) is a chemical compound with molecular formula C24H19FN6OS and molecular weight 458.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-[5-(1H-benzimidazol-2-ylmethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]phenyl]-2-fluorobenzamide
Also Known As: AQ-088/41085298, N-(3-(5-(((1H-benzo[d]imidazol-2-yl)methyl)thio)-4-methyl-4H-1,2,4-triazol-3-yl)phenyl)-2-fluorobenzamide, N-(3-{5-[(1H-benzimidazol-2-ylmethyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}phenyl)-2-fluorobenzamide, N-(3-{5-[(1H-benzimidazol-2-ylmethyl)thio]-4-methyl-4H-1,2,4-triazol-3-yl}phenyl)-2-fluorobenzamide, N-[3-[5-(1H-benzimidazol-2-ylmethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]phenyl]-2-fluorobenzamide
| Molecular Formula | C24H19FN6OS |
|---|---|
| Molecular Weight | 458.13 g/mol |
| LogP | 5.0421 |
| Topological Polar Surface Area | 88.49 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 458.1325 |
| Heavy Atoms | 33 |
| Complexity | 1427.4187 |
Chemical Identifiers
| CAS Number | 500264-89-1 |
|---|---|
| SMILES | CN1C(=NN=C1SCC2=NC3=CC=CC=C3N2)C4=CC(=CC=C4)NC(=O)C5=CC=CC=C5F |
Product Overview
AQ-088/41085298 (CAS 500264-89-1), with molecular formula C24H19FN6OS and molecular weight 458.13 g/mol. IUPAC: N-[3-[5-(1H-benzimidazol-2-ylmethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]phenyl]-2-fluorobenzamide.
Chemical Property Profile of AQ-088/41085298
Property Insights of AQ-088/41085298
The XLogP value of 5.0421 indicates that AQ-088/41085298 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.49 Ų falls within the moderate polarity range, balancing permeability and solubility for AQ-088/41085298. Following Lipinski's Rule of Five, AQ-088/41085298 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AQ-088/41085298?
The CAS number of AQ-088/41085298 is 500264-89-1.
What is the molecular formula of AQ-088/41085298?
The molecular formula of AQ-088/41085298 is C24H19FN6OS.
What is the molecular weight of AQ-088/41085298?
The molecular weight of AQ-088/41085298 is 458.13 g/mol.
Where can I buy AQ-088/41085298?
You can request a quote for AQ-088/41085298 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AQ-088/41085298?
Yes, KEHONG BIO provides custom synthesis services for AQ-088/41085298 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.