AQ-088/41137751
TL;DR: AQ-088/41137751 (CAS 500266-29-5) is a chemical compound with molecular formula C19H17BrN4O2S and molecular weight 444.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-[5-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]phenyl]acetamide
Also Known As: AQ-088/41137751, N-[4-[5-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]phenyl]acetamide, N-[4-(5-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)phenyl]acetamide, N-(4-(5-((2-(4-bromophenyl)-2-oxoethyl)thio)-4-methyl-4H-1,2,4-triazol-3-yl)phenyl)acetamide, N-[4-[5-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]phenyl]acetamide
| Molecular Formula | C19H17BrN4O2S |
|---|---|
| Molecular Weight | 444.03 g/mol |
| LogP | 4.178 |
| Topological Polar Surface Area | 76.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 444.02557 |
| Heavy Atoms | 27 |
| Complexity | 968.37964 |
Chemical Identifiers
| CAS Number | 500266-29-5 |
|---|---|
| SMILES | CC(=O)NC1=CC=C(C=C1)C2=NN=C(N2C)SCC(=O)C3=CC=C(C=C3)Br |
Product Overview
AQ-088/41137751 (CAS 500266-29-5), with molecular formula C19H17BrN4O2S and molecular weight 444.03 g/mol. IUPAC: N-[4-[5-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]phenyl]acetamide.
Chemical Property Profile of AQ-088/41137751
Property Insights of AQ-088/41137751
The XLogP value of 4.178 indicates that AQ-088/41137751 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-088/41137751. Following Lipinski's Rule of Five, AQ-088/41137751 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-088/41137751?
The CAS number of AQ-088/41137751 is 500266-29-5.
What is the molecular formula of AQ-088/41137751?
The molecular formula of AQ-088/41137751 is C19H17BrN4O2S.
What is the molecular weight of AQ-088/41137751?
The molecular weight of AQ-088/41137751 is 444.03 g/mol.
Where can I buy AQ-088/41137751?
You can request a quote for AQ-088/41137751 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AQ-088/41137751?
Yes, KEHONG BIO provides custom synthesis services for AQ-088/41137751 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.