AQ-088/42013338
TL;DR: AQ-088/42013338 (CAS 708287-37-0) is a chemical compound with molecular formula C28H27BrN6O2S and molecular weight 590.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-N-[4-[4-methyl-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1,2,4-triazol-3-yl]phenyl]benzamide
Also Known As: AQ-088/42013338, 2-bromo-N-[4-(4-methyl-5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)phenyl]benzamide, 2-bromo-N-[4-[4-methyl-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1,2,4-triazol-3-yl]phenyl]benzamide, 2-bromo-N-[4-(4-methyl-5-{[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)phenyl]benzamide, 2-BROMO-N-[4-(4-METHYL-5-{[2-OXO-2-(4-PHENYLPIPERAZIN-1-YL)ETHYL]SULFANYL}-1,2,4-TRIAZOL-3-YL)PHENYL]BENZAMIDE
| Molecular Formula | C28H27BrN6O2S |
|---|---|
| Molecular Weight | 590.11 g/mol |
| LogP | 4.9378 |
| Topological Polar Surface Area | 83.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 590.11 |
| Heavy Atoms | 38 |
| Complexity | 1419.0518 |
Chemical Identifiers
| CAS Number | 708287-37-0 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)N2CCN(CC2)C3=CC=CC=C3)C4=CC=C(C=C4)NC(=O)C5=CC=CC=C5Br |
Product Overview
AQ-088/42013338 (CAS 708287-37-0), with molecular formula C28H27BrN6O2S and molecular weight 590.11 g/mol. IUPAC: 2-bromo-N-[4-[4-methyl-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1,2,4-triazol-3-yl]phenyl]benzamide.
Chemical Property Profile of AQ-088/42013338
Property Insights of AQ-088/42013338
The XLogP value of 4.9378 indicates that AQ-088/42013338 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.36 Ų falls within the moderate polarity range, balancing permeability and solubility for AQ-088/42013338. Following Lipinski's Rule of Five, AQ-088/42013338 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AQ-088/42013338?
The CAS number of AQ-088/42013338 is 708287-37-0.
What is the molecular formula of AQ-088/42013338?
The molecular formula of AQ-088/42013338 is C28H27BrN6O2S.
What is the molecular weight of AQ-088/42013338?
The molecular weight of AQ-088/42013338 is 590.11 g/mol.
Where can I buy AQ-088/42013338?
You can request a quote for AQ-088/42013338 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AQ-088/42013338?
Yes, KEHONG BIO provides custom synthesis services for AQ-088/42013338 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.