AQ-088/41966936
TL;DR: AQ-088/41966936 (CAS 701933-48-4) is a chemical compound with molecular formula C16H13BrN4OS3 and molecular weight 451.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-[(3-bromophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylsulfanylacetamide
Also Known As: AQ-088/41966936, N-[5-[(3-bromophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylsulfanylacetamide, N-{5-[(3-bromobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-2-(pyridin-2-ylsulfanyl)acetamide, N-{5-[(3-bromobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-2-(2-pyridinylsulfanyl)acetamide
| Molecular Formula | C16H13BrN4OS3 |
|---|---|
| Molecular Weight | 451.94 g/mol |
| LogP | 4.7187 |
| Topological Polar Surface Area | 67.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 451.94348 |
| Heavy Atoms | 25 |
| Complexity | 844.16095 |
Chemical Identifiers
| CAS Number | 701933-48-4 |
|---|---|
| SMILES | C1=CC=NC(=C1)SCC(=O)NC2=NN=C(S2)SCC3=CC(=CC=C3)Br |
Product Overview
AQ-088/41966936 (CAS 701933-48-4), with molecular formula C16H13BrN4OS3 and molecular weight 451.94 g/mol. IUPAC: N-[5-[(3-bromophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylsulfanylacetamide.
Chemical Property Profile of AQ-088/41966936
Property Insights of AQ-088/41966936
The XLogP value of 4.7187 indicates that AQ-088/41966936 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.77 Ų falls within the moderate polarity range, balancing permeability and solubility for AQ-088/41966936. Following Lipinski's Rule of Five, AQ-088/41966936 has 1 hydrogen bond donor(s) and 7 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-088/41966936?
The CAS number of AQ-088/41966936 is 701933-48-4.
What is the molecular formula of AQ-088/41966936?
The molecular formula of AQ-088/41966936 is C16H13BrN4OS3.
What is the molecular weight of AQ-088/41966936?
The molecular weight of AQ-088/41966936 is 451.94 g/mol.
Where can I buy AQ-088/41966936?
You can request a quote for AQ-088/41966936 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AQ-088/41966936?
Yes, KEHONG BIO provides custom synthesis services for AQ-088/41966936 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.