AQ-088/41086839
TL;DR: AQ-088/41086839 (CAS 500265-76-9) is a chemical compound with molecular formula C23H26N4O2S and molecular weight 422.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-[5-[(3-acetyl-2,4,6-trimethylphenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]phenyl]acetamide
Also Known As: AQ-088/41086839, N-(3-{5-[(3-acetyl-2,4,6-trimethylbenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}phenyl)acetamide, N-(3-(5-((3-acetyl-2,4,6-trimethylbenzyl)thio)-4-methyl-4H-1,2,4-triazol-3-yl)phenyl)acetamide, N-[3-[5-[(3-acetyl-2,4,6-trimethylphenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]phenyl]acetamide
| Molecular Formula | C23H26N4O2S |
|---|---|
| Molecular Weight | 422.18 g/mol |
| LogP | 4.86066 |
| Topological Polar Surface Area | 76.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 422.17764 |
| Heavy Atoms | 30 |
| Complexity | 1134.472 |
Chemical Identifiers
| CAS Number | 500265-76-9 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1CSC2=NN=C(N2C)C3=CC(=CC=C3)NC(=O)C)C)C(=O)C)C |
Product Overview
AQ-088/41086839 (CAS 500265-76-9), with molecular formula C23H26N4O2S and molecular weight 422.18 g/mol. IUPAC: N-[3-[5-[(3-acetyl-2,4,6-trimethylphenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]phenyl]acetamide.
Chemical Property Profile of AQ-088/41086839
Property Insights of AQ-088/41086839
The XLogP value of 4.86066 indicates that AQ-088/41086839 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-088/41086839. Following Lipinski's Rule of Five, AQ-088/41086839 has 1 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-088/41086839?
The CAS number of AQ-088/41086839 is 500265-76-9.
What is the molecular formula of AQ-088/41086839?
The molecular formula of AQ-088/41086839 is C23H26N4O2S.
What is the molecular weight of AQ-088/41086839?
The molecular weight of AQ-088/41086839 is 422.18 g/mol.
Where can I buy AQ-088/41086839?
You can request a quote for AQ-088/41086839 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AQ-088/41086839?
Yes, KEHONG BIO provides custom synthesis services for AQ-088/41086839 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.