AQ-088/41137703
TL;DR: AQ-088/41137703 (CAS 488136-35-2) is a chemical compound with molecular formula C21H23N5O2S and molecular weight 409.16 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-methyl-1,2,4-triazol-3-yl]sulfanyl]butanamide
Also Known As: AQ-088/41137703, N-(4-acetylphenyl)-2-{[5-(4-aminophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}butanamide, N-(4-acetylphenyl)-2-((5-(4-aminophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)butanamide, N-(4-acetylphenyl)-2-[[5-(4-aminophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]butanamide
| Molecular Formula | C21H23N5O2S |
|---|---|
| Molecular Weight | 409.16 g/mol |
| LogP | 3.7763 |
| Topological Polar Surface Area | 102.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 409.15726 |
| Heavy Atoms | 29 |
| Complexity | 1012.55566 |
Chemical Identifiers
| CAS Number | 488136-35-2 |
|---|---|
| SMILES | CCC(C(=O)NC1=CC=C(C=C1)C(=O)C)SC2=NN=C(N2C)C3=CC=C(C=C3)N |
Product Overview
AQ-088/41137703 (CAS 488136-35-2), with molecular formula C21H23N5O2S and molecular weight 409.16 g/mol. IUPAC: N-(4-acetylphenyl)-2-[[5-(4-aminophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]butanamide.
Chemical Property Profile of AQ-088/41137703
Property Insights of AQ-088/41137703
The XLogP value of 3.7763 indicates that AQ-088/41137703 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-088/41137703. Following Lipinski's Rule of Five, AQ-088/41137703 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-088/41137703?
The CAS number of AQ-088/41137703 is 488136-35-2.
What is the molecular formula of AQ-088/41137703?
The molecular formula of AQ-088/41137703 is C21H23N5O2S.
What is the molecular weight of AQ-088/41137703?
The molecular weight of AQ-088/41137703 is 409.16 g/mol.
Where can I buy AQ-088/41137703?
You can request a quote for AQ-088/41137703 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AQ-088/41137703?
Yes, KEHONG BIO provides custom synthesis services for AQ-088/41137703 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.