AQ-088/41086779
TL;DR: AQ-088/41086779 (CAS 500265-71-4) is a chemical compound with molecular formula C22H25N5O3S and molecular weight 439.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(3-acetamidophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethoxyphenyl)propanamide
Also Known As: AQ-088/41086779, 2-[[5-(3-acetamidophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethoxyphenyl)propanamide, 2-({5-[3-(acetylamino)phenyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-ethoxyphenyl)propanamide
| Molecular Formula | C22H25N5O3S |
|---|---|
| Molecular Weight | 439.17 g/mol |
| LogP | 3.9585 |
| Topological Polar Surface Area | 98.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 439.16782 |
| Heavy Atoms | 31 |
| Complexity | 1065.2633 |
Chemical Identifiers
| CAS Number | 500265-71-4 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)NC(=O)C(C)SC2=NN=C(N2C)C3=CC(=CC=C3)NC(=O)C |
Product Overview
AQ-088/41086779 (CAS 500265-71-4), with molecular formula C22H25N5O3S and molecular weight 439.17 g/mol. IUPAC: 2-[[5-(3-acetamidophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethoxyphenyl)propanamide.
Chemical Property Profile of AQ-088/41086779
Property Insights of AQ-088/41086779
The XLogP value of 3.9585 indicates that AQ-088/41086779 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.14 Ų falls within the moderate polarity range, balancing permeability and solubility for AQ-088/41086779. Following Lipinski's Rule of Five, AQ-088/41086779 has 2 hydrogen bond donor(s) and 6 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-088/41086779?
The CAS number of AQ-088/41086779 is 500265-71-4.
What is the molecular formula of AQ-088/41086779?
The molecular formula of AQ-088/41086779 is C22H25N5O3S.
What is the molecular weight of AQ-088/41086779?
The molecular weight of AQ-088/41086779 is 439.17 g/mol.
Where can I buy AQ-088/41086779?
You can request a quote for AQ-088/41086779 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AQ-088/41086779?
Yes, KEHONG BIO provides custom synthesis services for AQ-088/41086779 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.