AQ-088/41085643
TL;DR: AQ-088/41085643 (CAS 500265-01-0) is a chemical compound with molecular formula C20H20N6OS and molecular weight 392.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-[5-(1H-benzimidazol-2-ylmethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]phenyl]propanamide
Also Known As: AQ-088/41085643, N-[3-[5-(1H-benzimidazol-2-ylmethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]phenyl]propanamide, N-(3-{5-[(1H-benzimidazol-2-ylmethyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}phenyl)propanamide, N-(3-(5-(((1H-benzo[d]imidazol-2-yl)methyl)thio)-4-methyl-4H-1,2,4-triazol-3-yl)phenyl)propionamide, Cambridge id 7358378
| Molecular Formula | C20H20N6OS |
|---|---|
| Molecular Weight | 392.14 g/mol |
| LogP | 3.9992 |
| Topological Polar Surface Area | 88.49 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 392.14194 |
| Heavy Atoms | 28 |
| Complexity | 1099.6459 |
Chemical Identifiers
| CAS Number | 500265-01-0 |
|---|---|
| SMILES | CCC(=O)NC1=CC=CC(=C1)C2=NN=C(N2C)SCC3=NC4=CC=CC=C4N3 |
Product Overview
AQ-088/41085643 (CAS 500265-01-0), with molecular formula C20H20N6OS and molecular weight 392.14 g/mol. IUPAC: N-[3-[5-(1H-benzimidazol-2-ylmethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]phenyl]propanamide.
Chemical Property Profile of AQ-088/41085643
Property Insights of AQ-088/41085643
The XLogP value of 3.9992 indicates that AQ-088/41085643 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.49 Ų falls within the moderate polarity range, balancing permeability and solubility for AQ-088/41085643. Following Lipinski's Rule of Five, AQ-088/41085643 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-088/41085643?
The CAS number of AQ-088/41085643 is 500265-01-0.
What is the molecular formula of AQ-088/41085643?
The molecular formula of AQ-088/41085643 is C20H20N6OS.
What is the molecular weight of AQ-088/41085643?
The molecular weight of AQ-088/41085643 is 392.14 g/mol.
Where can I buy AQ-088/41085643?
You can request a quote for AQ-088/41085643 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AQ-088/41085643?
Yes, KEHONG BIO provides custom synthesis services for AQ-088/41085643 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.