AQ-088/41086776
TL;DR: AQ-088/41086776 (CAS 500265-70-3) is a chemical compound with molecular formula C21H21N5O4S and molecular weight 439.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[2-[[5-(3-acetamidophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
Also Known As: AQ-088/41086776, methyl 2-(2-((5-(3-acetamidophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate, methyl 2-{[({5-[3-(acetylamino)phenyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}benzoate, methyl 2-[[2-[[5-(3-acetamidophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
| Molecular Formula | C21H21N5O4S |
|---|---|
| Molecular Weight | 439.13 g/mol |
| LogP | 2.9579 |
| Topological Polar Surface Area | 115.21 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 439.13144 |
| Heavy Atoms | 31 |
| Complexity | 1128.4628 |
Chemical Identifiers
| CAS Number | 500265-70-3 |
|---|---|
| SMILES | CC(=O)NC1=CC=CC(=C1)C2=NN=C(N2C)SCC(=O)NC3=CC=CC=C3C(=O)OC |
Product Overview
AQ-088/41086776 (CAS 500265-70-3), with molecular formula C21H21N5O4S and molecular weight 439.13 g/mol. IUPAC: methyl 2-[[2-[[5-(3-acetamidophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of AQ-088/41086776
Property Insights of AQ-088/41086776
The XLogP value of 2.9579 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AQ-088/41086776. The TPSA of 115.21 Ų falls within the moderate polarity range, balancing permeability and solubility for AQ-088/41086776. Following Lipinski's Rule of Five, AQ-088/41086776 has 2 hydrogen bond donor(s) and 7 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-088/41086776?
The CAS number of AQ-088/41086776 is 500265-70-3.
What is the molecular formula of AQ-088/41086776?
The molecular formula of AQ-088/41086776 is C21H21N5O4S.
What is the molecular weight of AQ-088/41086776?
The molecular weight of AQ-088/41086776 is 439.13 g/mol.
Where can I buy AQ-088/41086776?
You can request a quote for AQ-088/41086776 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AQ-088/41086776?
Yes, KEHONG BIO provides custom synthesis services for AQ-088/41086776 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.