AQ-088/41137271
TL;DR: AQ-088/41137271 (CAS 500266-00-2) is a chemical compound with molecular formula C21H25N5O2S and molecular weight 411.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(4-aminophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethoxyphenyl)propanamide
Also Known As: AQ-088/41137271, 2-{[5-(4-aminophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-ethoxyphenyl)propanamide, 2-((5-(4-aminophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-ethoxyphenyl)propanamide, 2-[[5-(4-aminophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethoxyphenyl)propanamide, 2-{[5-(4-AMINOPHENYL)-4-ETHYL-1,2,4-TRIAZOL-3-YL]SULFANYL}-N-(4-ETHOXYPHENYL)PROPANAMIDE
| Molecular Formula | C21H25N5O2S |
|---|---|
| Molecular Weight | 411.17 g/mol |
| LogP | 4.0652 |
| Topological Polar Surface Area | 95.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 411.17288 |
| Heavy Atoms | 29 |
| Complexity | 954.2077 |
Chemical Identifiers
| CAS Number | 500266-00-2 |
|---|---|
| SMILES | CCN1C(=NN=C1SC(C)C(=O)NC2=CC=C(C=C2)OCC)C3=CC=C(C=C3)N |
Product Overview
AQ-088/41137271 (CAS 500266-00-2), with molecular formula C21H25N5O2S and molecular weight 411.17 g/mol. IUPAC: 2-[[5-(4-aminophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethoxyphenyl)propanamide.
Chemical Property Profile of AQ-088/41137271
Property Insights of AQ-088/41137271
The XLogP value of 4.0652 indicates that AQ-088/41137271 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.06 Ų falls within the moderate polarity range, balancing permeability and solubility for AQ-088/41137271. Following Lipinski's Rule of Five, AQ-088/41137271 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-088/41137271?
The CAS number of AQ-088/41137271 is 500266-00-2.
What is the molecular formula of AQ-088/41137271?
The molecular formula of AQ-088/41137271 is C21H25N5O2S.
What is the molecular weight of AQ-088/41137271?
The molecular weight of AQ-088/41137271 is 411.17 g/mol.
Where can I buy AQ-088/41137271?
You can request a quote for AQ-088/41137271 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AQ-088/41137271?
Yes, KEHONG BIO provides custom synthesis services for AQ-088/41137271 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.