AQ-088/41136852
TL;DR: AQ-088/41136852 (CAS 497076-73-0) is a chemical compound with molecular formula C26H26N4O2S and molecular weight 458.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-acetylphenyl)-2-[[4-methyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]butanamide
Also Known As: AQ-088/41136852, N-(4-acetylphenyl)-2-[[4-methyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]butanamide, N-(4-acetylphenyl)-2-((4-methyl-5-(naphthalen-1-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)butanamide, N-(4-acetylphenyl)-2-{[4-methyl-5-(1-naphthylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}butanamide, N-(4-acetylphenyl)-2-{[4-methyl-5-(naphthalen-1-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}butanamide
| Molecular Formula | C26H26N4O2S |
|---|---|
| Molecular Weight | 458.18 g/mol |
| LogP | 5.2711 |
| Topological Polar Surface Area | 76.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 458.17764 |
| Heavy Atoms | 33 |
| Complexity | 1292.1532 |
Chemical Identifiers
| CAS Number | 497076-73-0 |
|---|---|
| SMILES | CCC(C(=O)NC1=CC=C(C=C1)C(=O)C)SC2=NN=C(N2C)CC3=CC=CC4=CC=CC=C43 |
Product Overview
AQ-088/41136852 (CAS 497076-73-0), with molecular formula C26H26N4O2S and molecular weight 458.18 g/mol. IUPAC: N-(4-acetylphenyl)-2-[[4-methyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]butanamide.
Chemical Property Profile of AQ-088/41136852
Property Insights of AQ-088/41136852
The XLogP value of 5.2711 indicates that AQ-088/41136852 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.88 Ų falls within the moderate polarity range, balancing permeability and solubility for AQ-088/41136852. Following Lipinski's Rule of Five, AQ-088/41136852 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AQ-088/41136852?
The CAS number of AQ-088/41136852 is 497076-73-0.
What is the molecular formula of AQ-088/41136852?
The molecular formula of AQ-088/41136852 is C26H26N4O2S.
What is the molecular weight of AQ-088/41136852?
The molecular weight of AQ-088/41136852 is 458.18 g/mol.
Where can I buy AQ-088/41136852?
You can request a quote for AQ-088/41136852 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AQ-088/41136852?
Yes, KEHONG BIO provides custom synthesis services for AQ-088/41136852 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.