AQ-088/41614641
TL;DR: AQ-088/41614641 (CAS 667908-36-3) is a chemical compound with molecular formula C22H21N3S and molecular weight 359.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-3-[(3-methylphenyl)methylsulfanyl]-5-(naphthalen-1-ylmethyl)-1,2,4-triazole
Also Known As: AQ-088/41614641, 4-methyl-3-[(3-methylphenyl)methylsulfanyl]-5-(naphthalen-1-ylmethyl)-1,2,4-triazole, 3-methylbenzyl 4-methyl-5-(1-naphthylmethyl)-4H-1,2,4-triazol-3-yl sulfide
| Molecular Formula | C22H21N3S |
|---|---|
| Molecular Weight | 359.15 g/mol |
| LogP | 5.15982 |
| Topological Polar Surface Area | 30.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 359.14563 |
| Heavy Atoms | 26 |
| Complexity | 1046.8883 |
Chemical Identifiers
| CAS Number | 667908-36-3 |
|---|---|
| SMILES | CC1=CC(=CC=C1)CSC2=NN=C(N2C)CC3=CC=CC4=CC=CC=C43 |
Product Overview
AQ-088/41614641 (CAS 667908-36-3), with molecular formula C22H21N3S and molecular weight 359.15 g/mol. IUPAC: 4-methyl-3-[(3-methylphenyl)methylsulfanyl]-5-(naphthalen-1-ylmethyl)-1,2,4-triazole.
Chemical Property Profile of AQ-088/41614641
Property Insights of AQ-088/41614641
The XLogP value of 5.15982 indicates that AQ-088/41614641 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.71 Ų, AQ-088/41614641 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AQ-088/41614641 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AQ-088/41614641?
The CAS number of AQ-088/41614641 is 667908-36-3.
What is the molecular formula of AQ-088/41614641?
The molecular formula of AQ-088/41614641 is C22H21N3S.
What is the molecular weight of AQ-088/41614641?
The molecular weight of AQ-088/41614641 is 359.15 g/mol.
Where can I buy AQ-088/41614641?
You can request a quote for AQ-088/41614641 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AQ-088/41614641?
Yes, KEHONG BIO provides custom synthesis services for AQ-088/41614641 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.