AQ-088/41137446
TL;DR: AQ-088/41137446 (CAS 500266-19-3) is a chemical compound with molecular formula C20H21N5O2S and molecular weight 395.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-acetylphenyl)-2-[[5-(4-aminophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: AQ-088/41137446, N-(4-acetylphenyl)-2-{[5-(4-aminophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(4-acetylphenyl)-2-((5-(4-aminophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetamide, N-(4-acetylphenyl)-2-[[5-(4-aminophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
| Molecular Formula | C20H21N5O2S |
|---|---|
| Molecular Weight | 395.14 g/mol |
| LogP | 3.4806 |
| Topological Polar Surface Area | 102.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 395.1416 |
| Heavy Atoms | 28 |
| Complexity | 980.8356 |
Chemical Identifiers
| CAS Number | 500266-19-3 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)C)C3=CC=C(C=C3)N |
Product Overview
AQ-088/41137446 (CAS 500266-19-3), with molecular formula C20H21N5O2S and molecular weight 395.14 g/mol. IUPAC: N-(4-acetylphenyl)-2-[[5-(4-aminophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of AQ-088/41137446
Property Insights of AQ-088/41137446
The XLogP value of 3.4806 indicates that AQ-088/41137446 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.9 Ų falls within the moderate polarity range, balancing permeability and solubility for AQ-088/41137446. Following Lipinski's Rule of Five, AQ-088/41137446 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-088/41137446?
The CAS number of AQ-088/41137446 is 500266-19-3.
What is the molecular formula of AQ-088/41137446?
The molecular formula of AQ-088/41137446 is C20H21N5O2S.
What is the molecular weight of AQ-088/41137446?
The molecular weight of AQ-088/41137446 is 395.14 g/mol.
Where can I buy AQ-088/41137446?
You can request a quote for AQ-088/41137446 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AQ-088/41137446?
Yes, KEHONG BIO provides custom synthesis services for AQ-088/41137446 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.