AQ-088/41137757
TL;DR: AQ-088/41137757 (CAS 488824-01-7) is a chemical compound with molecular formula C19H20BrN5OS and molecular weight 445.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(3-aminophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-bromophenyl)butanamide
Also Known As: AQ-088/41137757, 2-{[5-(3-aminophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-bromophenyl)butanamide, 2-[[5-(3-aminophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-bromophenyl)butanamide, 2-((5-(3-aminophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-bromophenyl)butanamide, Cambridge id 7117320
| Molecular Formula | C19H20BrN5OS |
|---|---|
| Molecular Weight | 445.06 g/mol |
| LogP | 4.3362 |
| Topological Polar Surface Area | 85.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 445.0572 |
| Heavy Atoms | 27 |
| Complexity | 941.528 |
Chemical Identifiers
| CAS Number | 488824-01-7 |
|---|---|
| SMILES | CCC(C(=O)NC1=CC=C(C=C1)Br)SC2=NN=C(N2C)C3=CC(=CC=C3)N |
Product Overview
AQ-088/41137757 (CAS 488824-01-7), with molecular formula C19H20BrN5OS and molecular weight 445.06 g/mol. IUPAC: 2-[[5-(3-aminophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-bromophenyl)butanamide.
Chemical Property Profile of AQ-088/41137757
Property Insights of AQ-088/41137757
The XLogP value of 4.3362 indicates that AQ-088/41137757 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-088/41137757. Following Lipinski's Rule of Five, AQ-088/41137757 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-088/41137757?
The CAS number of AQ-088/41137757 is 488824-01-7.
What is the molecular formula of AQ-088/41137757?
The molecular formula of AQ-088/41137757 is C19H20BrN5OS.
What is the molecular weight of AQ-088/41137757?
The molecular weight of AQ-088/41137757 is 445.06 g/mol.
Where can I buy AQ-088/41137757?
You can request a quote for AQ-088/41137757 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AQ-088/41137757?
Yes, KEHONG BIO provides custom synthesis services for AQ-088/41137757 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.