AQ-088/41137100
TL;DR: AQ-088/41137100 (CAS 500265-95-2) is a chemical compound with molecular formula C21H21N5O2S and molecular weight 407.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-[5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]phenyl]acetamide
Also Known As: AQ-088/41137100, N-[4-(5-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)phenyl]acetamide, N-(4-(5-((2-(indolin-1-yl)-2-oxoethyl)thio)-4-methyl-4H-1,2,4-triazol-3-yl)phenyl)acetamide, N-[4-[5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]phenyl]acetamide
| Molecular Formula | C21H21N5O2S |
|---|---|
| Molecular Weight | 407.14 g/mol |
| LogP | 3.1219 |
| Topological Polar Surface Area | 80.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 407.1416 |
| Heavy Atoms | 29 |
| Complexity | 1061.1884 |
Chemical Identifiers
| CAS Number | 500265-95-2 |
|---|---|
| SMILES | CC(=O)NC1=CC=C(C=C1)C2=NN=C(N2C)SCC(=O)N3CCC4=CC=CC=C43 |
Product Overview
AQ-088/41137100 (CAS 500265-95-2), with molecular formula C21H21N5O2S and molecular weight 407.14 g/mol. IUPAC: N-[4-[5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]phenyl]acetamide.
Chemical Property Profile of AQ-088/41137100
Property Insights of AQ-088/41137100
The XLogP value of 3.1219 indicates that AQ-088/41137100 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.12 Ų falls within the moderate polarity range, balancing permeability and solubility for AQ-088/41137100. Following Lipinski's Rule of Five, AQ-088/41137100 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-088/41137100?
The CAS number of AQ-088/41137100 is 500265-95-2.
What is the molecular formula of AQ-088/41137100?
The molecular formula of AQ-088/41137100 is C21H21N5O2S.
What is the molecular weight of AQ-088/41137100?
The molecular weight of AQ-088/41137100 is 407.14 g/mol.
Where can I buy AQ-088/41137100?
You can request a quote for AQ-088/41137100 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AQ-088/41137100?
Yes, KEHONG BIO provides custom synthesis services for AQ-088/41137100 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.