AQ-088/41086757
TL;DR: AQ-088/41086757 (CAS 500265-66-7) is a chemical compound with molecular formula C22H25N5O2S and molecular weight 423.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-[4-methyl-5-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]phenyl]propanamide
Also Known As: AQ-088/41086757, N-{3-[4-methyl-5-({2-[(4-methylbenzyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]phenyl}propanamide, N-(3-(4-methyl-5-((2-((4-methylbenzyl)amino)-2-oxoethyl)thio)-4H-1,2,4-triazol-3-yl)phenyl)propionamide, N-[3-[4-methyl-5-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]phenyl]propanamide
| Molecular Formula | C22H25N5O2S |
|---|---|
| Molecular Weight | 423.17 g/mol |
| LogP | 3.54752 |
| Topological Polar Surface Area | 88.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 423.17288 |
| Heavy Atoms | 30 |
| Complexity | 1030.2621 |
Chemical Identifiers
| CAS Number | 500265-66-7 |
|---|---|
| SMILES | CCC(=O)NC1=CC=CC(=C1)C2=NN=C(N2C)SCC(=O)NCC3=CC=C(C=C3)C |
Product Overview
AQ-088/41086757 (CAS 500265-66-7), with molecular formula C22H25N5O2S and molecular weight 423.17 g/mol. IUPAC: N-[3-[4-methyl-5-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]phenyl]propanamide.
Chemical Property Profile of AQ-088/41086757
Property Insights of AQ-088/41086757
The XLogP value of 3.54752 indicates that AQ-088/41086757 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-088/41086757. Following Lipinski's Rule of Five, AQ-088/41086757 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-088/41086757?
The CAS number of AQ-088/41086757 is 500265-66-7.
What is the molecular formula of AQ-088/41086757?
The molecular formula of AQ-088/41086757 is C22H25N5O2S.
What is the molecular weight of AQ-088/41086757?
The molecular weight of AQ-088/41086757 is 423.17 g/mol.
Where can I buy AQ-088/41086757?
You can request a quote for AQ-088/41086757 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AQ-088/41086757?
Yes, KEHONG BIO provides custom synthesis services for AQ-088/41086757 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.