AQ-088/41137813
TL;DR: AQ-088/41137813 (CAS 500147-48-8) is a chemical compound with molecular formula C23H26N4O3S and molecular weight 438.17 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-[(2-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]butanamide
Also Known As: AQ-088/41137813, N-(4-acetylphenyl)-2-[[4-methyl-5-[(2-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]butanamide, N-(4-acetylphenyl)-2-({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)butanamide, N-(4-acetylphenyl)-2-((4-methyl-5-((o-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)butanamide, Cambridge id 7115346
| Molecular Formula | C23H26N4O3S |
|---|---|
| Molecular Weight | 438.17 g/mol |
| LogP | 4.41452 |
| Topological Polar Surface Area | 86.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 438.17258 |
| Heavy Atoms | 31 |
| Complexity | 1062.9385 |
Chemical Identifiers
| CAS Number | 500147-48-8 |
|---|---|
| SMILES | CCC(C(=O)NC1=CC=C(C=C1)C(=O)C)SC2=NN=C(N2C)COC3=CC=CC=C3C |
Product Overview
AQ-088/41137813 (CAS 500147-48-8), with molecular formula C23H26N4O3S and molecular weight 438.17 g/mol. IUPAC: N-(4-acetylphenyl)-2-[[4-methyl-5-[(2-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]butanamide.
Chemical Property Profile of AQ-088/41137813
Property Insights of AQ-088/41137813
The XLogP value of 4.41452 indicates that AQ-088/41137813 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.11 Ų falls within the moderate polarity range, balancing permeability and solubility for AQ-088/41137813. Following Lipinski's Rule of Five, AQ-088/41137813 has 1 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-088/41137813?
The CAS number of AQ-088/41137813 is 500147-48-8.
What is the molecular formula of AQ-088/41137813?
The molecular formula of AQ-088/41137813 is C23H26N4O3S.
What is the molecular weight of AQ-088/41137813?
The molecular weight of AQ-088/41137813 is 438.17 g/mol.
Where can I buy AQ-088/41137813?
You can request a quote for AQ-088/41137813 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AQ-088/41137813?
Yes, KEHONG BIO provides custom synthesis services for AQ-088/41137813 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.