AQ-088/42181735
TL;DR: AQ-088/42181735 (CAS 5549-93-9) is a chemical compound with molecular formula C18H15BrN4O2S2 and molecular weight 461.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-(4-bromophenyl)benzamide
Also Known As: AQ-088/42181735, 4-({[5-(acetylamino)-1,3,4-thiadiazol-2-yl]sulfanyl}methyl)-N-(4-bromophenyl)benzamide, 4-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-(4-bromophenyl)benzamide, 4-{[(5-Acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-N-(4-bromophenyl)benzamide
| Molecular Formula | C18H15BrN4O2S2 |
|---|---|
| Molecular Weight | 461.98 g/mol |
| LogP | 4.8036 |
| Topological Polar Surface Area | 83.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 461.982 |
| Heavy Atoms | 27 |
| Complexity | 942.7553 |
Chemical Identifiers
| CAS Number | 5549-93-9 |
|---|---|
| SMILES | CC(=O)NC1=NN=C(S1)SCC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)Br |
Product Overview
AQ-088/42181735 (CAS 5549-93-9), with molecular formula C18H15BrN4O2S2 and molecular weight 461.98 g/mol. IUPAC: 4-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-(4-bromophenyl)benzamide.
Chemical Property Profile of AQ-088/42181735
Property Insights of AQ-088/42181735
The XLogP value of 4.8036 indicates that AQ-088/42181735 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.98 Ų falls within the moderate polarity range, balancing permeability and solubility for AQ-088/42181735. Following Lipinski's Rule of Five, AQ-088/42181735 has 2 hydrogen bond donor(s) and 6 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-088/42181735?
The CAS number of AQ-088/42181735 is 5549-93-9.
What is the molecular formula of AQ-088/42181735?
The molecular formula of AQ-088/42181735 is C18H15BrN4O2S2.
What is the molecular weight of AQ-088/42181735?
The molecular weight of AQ-088/42181735 is 461.98 g/mol.
Where can I buy AQ-088/42181735?
You can request a quote for AQ-088/42181735 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AQ-088/42181735?
Yes, KEHONG BIO provides custom synthesis services for AQ-088/42181735 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.