AQ-088/41085633
TL;DR: AQ-088/41085633 (CAS 500264-95-9) is a chemical compound with molecular formula C23H23N5OS and molecular weight 417.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(3-aminophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(1,2,3,4-tetrahydrocarbazol-9-yl)ethanone
Also Known As: AQ-088/41085633, 2-{[5-(3-aminophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(1,2,3,4-tetrahydro-9H-carbazol-9-yl)ethanone, 2-[[5-(3-aminophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(1,2,3,4-tetrahydrocarbazol-9-yl)ethanone, 2-((5-(3-aminophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-1-(3,4-dihydro-1H-carbazol-9(2H)-yl)ethanone, 3-(4-methyl-5-{[2-oxo-2-(1,2,3,4-tetrahydro-9H-carbazol-9-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)phenylamine
| Molecular Formula | C23H23N5OS |
|---|---|
| Molecular Weight | 417.16 g/mol |
| LogP | 4.3303 |
| Topological Polar Surface Area | 78.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 417.16232 |
| Heavy Atoms | 30 |
| Complexity | 1255.9525 |
Chemical Identifiers
| CAS Number | 500264-95-9 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)N2C3=C(CCCC3)C4=CC=CC=C42)C5=CC(=CC=C5)N |
Product Overview
AQ-088/41085633 (CAS 500264-95-9), with molecular formula C23H23N5OS and molecular weight 417.16 g/mol. IUPAC: 2-[[5-(3-aminophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(1,2,3,4-tetrahydrocarbazol-9-yl)ethanone.
Chemical Property Profile of AQ-088/41085633
Property Insights of AQ-088/41085633
The XLogP value of 4.3303 indicates that AQ-088/41085633 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.73 Ų falls within the moderate polarity range, balancing permeability and solubility for AQ-088/41085633. Following Lipinski's Rule of Five, AQ-088/41085633 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-088/41085633?
The CAS number of AQ-088/41085633 is 500264-95-9.
What is the molecular formula of AQ-088/41085633?
The molecular formula of AQ-088/41085633 is C23H23N5OS.
What is the molecular weight of AQ-088/41085633?
The molecular weight of AQ-088/41085633 is 417.16 g/mol.
Where can I buy AQ-088/41085633?
You can request a quote for AQ-088/41085633 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AQ-088/41085633?
Yes, KEHONG BIO provides custom synthesis services for AQ-088/41085633 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.