AQ-088/41085641
TL;DR: AQ-088/41085641 (CAS 500264-99-3) is a chemical compound with molecular formula C23H20N4O2S and molecular weight 416.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-[4-methyl-5-(2-naphthalen-2-yl-2-oxoethyl)sulfanyl-1,2,4-triazol-3-yl]phenyl]acetamide
Also Known As: AQ-088/41085641, N-[3-[4-methyl-5-(2-naphthalen-2-yl-2-oxoethyl)sulfanyl-1,2,4-triazol-3-yl]phenyl]acetamide, N-(3-(4-methyl-5-((2-(naphthalen-2-yl)-2-oxoethyl)thio)-4H-1,2,4-triazol-3-yl)phenyl)acetamide, N-[3-(4-methyl-5-{[2-(2-naphthyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)phenyl]acetamide, N-[3-(4-methyl-5-{[2-(naphthalen-2-yl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)phenyl]acetamide
| Molecular Formula | C23H20N4O2S |
|---|---|
| Molecular Weight | 416.13 g/mol |
| LogP | 4.5687 |
| Topological Polar Surface Area | 76.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 416.1307 |
| Heavy Atoms | 30 |
| Complexity | 1248.9307 |
Chemical Identifiers
| CAS Number | 500264-99-3 |
|---|---|
| SMILES | CC(=O)NC1=CC=CC(=C1)C2=NN=C(N2C)SCC(=O)C3=CC4=CC=CC=C4C=C3 |
Product Overview
AQ-088/41085641 (CAS 500264-99-3), with molecular formula C23H20N4O2S and molecular weight 416.13 g/mol. IUPAC: N-[3-[4-methyl-5-(2-naphthalen-2-yl-2-oxoethyl)sulfanyl-1,2,4-triazol-3-yl]phenyl]acetamide.
Chemical Property Profile of AQ-088/41085641
Property Insights of AQ-088/41085641
The XLogP value of 4.5687 indicates that AQ-088/41085641 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.88 Ų falls within the moderate polarity range, balancing permeability and solubility for AQ-088/41085641. Following Lipinski's Rule of Five, AQ-088/41085641 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-088/41085641?
The CAS number of AQ-088/41085641 is 500264-99-3.
What is the molecular formula of AQ-088/41085641?
The molecular formula of AQ-088/41085641 is C23H20N4O2S.
What is the molecular weight of AQ-088/41085641?
The molecular weight of AQ-088/41085641 is 416.13 g/mol.
Where can I buy AQ-088/41085641?
You can request a quote for AQ-088/41085641 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AQ-088/41085641?
Yes, KEHONG BIO provides custom synthesis services for AQ-088/41085641 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.