AQ-088/41469244
TL;DR: AQ-088/41469244 (CAS 586391-33-5) is a chemical compound with molecular formula C20H20ClN3OS2 and molecular weight 417.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-[(4-tert-butylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-chlorobenzamide
Also Known As: AQ-088/41469244, N-[5-[(4-tert-butylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-chlorobenzamide, N-{5-[(4-tert-butylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-2-chlorobenzamide, N-(5-((4-(tert-butyl)benzyl)thio)-1,3,4-thiadiazol-2-yl)-2-chlorobenzamide, N-[(2Z)-5-[(4-tert-butylbenzyl)sulfanyl]-1,3,4-thiadiazol-2(3H)-ylidene]-2-chlorobenzamide
| Molecular Formula | C20H20ClN3OS2 |
|---|---|
| Molecular Weight | 417.07 g/mol |
| LogP | 6.0336 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 417.07364 |
| Heavy Atoms | 27 |
| Complexity | 932.8999 |
Chemical Identifiers
| CAS Number | 586391-33-5 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)C3=CC=CC=C3Cl |
Product Overview
AQ-088/41469244 (CAS 586391-33-5), with molecular formula C20H20ClN3OS2 and molecular weight 417.07 g/mol. IUPAC: N-[5-[(4-tert-butylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-chlorobenzamide.
Chemical Property Profile of AQ-088/41469244
Property Insights of AQ-088/41469244
The XLogP value of 6.0336 indicates that AQ-088/41469244 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.88 Ų, AQ-088/41469244 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AQ-088/41469244 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AQ-088/41469244?
The CAS number of AQ-088/41469244 is 586391-33-5.
What is the molecular formula of AQ-088/41469244?
The molecular formula of AQ-088/41469244 is C20H20ClN3OS2.
What is the molecular weight of AQ-088/41469244?
The molecular weight of AQ-088/41469244 is 417.07 g/mol.
Where can I buy AQ-088/41469244?
You can request a quote for AQ-088/41469244 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AQ-088/41469244?
Yes, KEHONG BIO provides custom synthesis services for AQ-088/41469244 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.