AQ-088/41085640
TL;DR: AQ-088/41085640 (CAS 500264-97-1) is a chemical compound with molecular formula C25H23N5O2S and molecular weight 457.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(3-acetamidophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1,2-dihydroacenaphthylen-5-yl)acetamide
Also Known As: AQ-088/41085640, 2-((5-(3-acetamidophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-(1,2-dihydroacenaphthylen-5-yl)acetamide, 2-({5-[3-(acetylamino)phenyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(1,2-dihydro-5-acenaphthylenyl)acetamide, 2-({5-[3-(acetylamino)phenyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(1,2-dihydroacenaphthylen-5-yl)acetamide, 2-[[5-(3-acetamidophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1,2-dihydroacenaphthylen-5-yl)acetamide
| Molecular Formula | C25H23N5O2S |
|---|---|
| Molecular Weight | 457.16 g/mol |
| LogP | 4.4231 |
| Topological Polar Surface Area | 88.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 457.15726 |
| Heavy Atoms | 33 |
| Complexity | 1384.8287 |
Chemical Identifiers
| CAS Number | 500264-97-1 |
|---|---|
| SMILES | CC(=O)NC1=CC=CC(=C1)C2=NN=C(N2C)SCC(=O)NC3=CC=C4CCC5=C4C3=CC=C5 |
Product Overview
AQ-088/41085640 (CAS 500264-97-1), with molecular formula C25H23N5O2S and molecular weight 457.16 g/mol. IUPAC: 2-[[5-(3-acetamidophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1,2-dihydroacenaphthylen-5-yl)acetamide.
Chemical Property Profile of AQ-088/41085640
Property Insights of AQ-088/41085640
The XLogP value of 4.4231 indicates that AQ-088/41085640 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.91 Ų falls within the moderate polarity range, balancing permeability and solubility for AQ-088/41085640. Following Lipinski's Rule of Five, AQ-088/41085640 has 2 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-088/41085640?
The CAS number of AQ-088/41085640 is 500264-97-1.
What is the molecular formula of AQ-088/41085640?
The molecular formula of AQ-088/41085640 is C25H23N5O2S.
What is the molecular weight of AQ-088/41085640?
The molecular weight of AQ-088/41085640 is 457.16 g/mol.
Where can I buy AQ-088/41085640?
You can request a quote for AQ-088/41085640 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AQ-088/41085640?
Yes, KEHONG BIO provides custom synthesis services for AQ-088/41085640 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.