AQ-088/41137439
TL;DR: AQ-088/41137439 (CAS 511307-99-6) is a chemical compound with molecular formula C18H18BrN5OS and molecular weight 431.04 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-bromophenyl)acetamide
Also Known As: AQ-088/41137439, 2-{[5-(4-aminophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-bromophenyl)acetamide, 2-((5-(4-aminophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-bromophenyl)acetamide, 2-[[5-(4-aminophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-bromophenyl)acetamide
| Molecular Formula | C18H18BrN5OS |
|---|---|
| Molecular Weight | 431.04 g/mol |
| LogP | 4.0405 |
| Topological Polar Surface Area | 85.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 431.04153 |
| Heavy Atoms | 26 |
| Complexity | 892.9498 |
Chemical Identifiers
| CAS Number | 511307-99-6 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)Br)C3=CC=C(C=C3)N |
Product Overview
AQ-088/41137439 (CAS 511307-99-6), with molecular formula C18H18BrN5OS and molecular weight 431.04 g/mol. IUPAC: 2-[[5-(4-aminophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-bromophenyl)acetamide.
Chemical Property Profile of AQ-088/41137439
Property Insights of AQ-088/41137439
The XLogP value of 4.0405 indicates that AQ-088/41137439 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.83 Ų falls within the moderate polarity range, balancing permeability and solubility for AQ-088/41137439. Following Lipinski's Rule of Five, AQ-088/41137439 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-088/41137439?
The CAS number of AQ-088/41137439 is 511307-99-6.
What is the molecular formula of AQ-088/41137439?
The molecular formula of AQ-088/41137439 is C18H18BrN5OS.
What is the molecular weight of AQ-088/41137439?
The molecular weight of AQ-088/41137439 is 431.04 g/mol.
Where can I buy AQ-088/41137439?
You can request a quote for AQ-088/41137439 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AQ-088/41137439?
Yes, KEHONG BIO provides custom synthesis services for AQ-088/41137439 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.