AQ-088/41085233
TL;DR: AQ-088/41085233 (CAS 500264-87-9) is a chemical compound with molecular formula C30H31N5O3S and molecular weight 541.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-butoxy-N-[3-[5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]phenyl]benzamide
Also Known As: AQ-088/41085233, 4-butoxy-N-[3-(5-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)phenyl]benzamide, 4-butoxy-N-(3-(5-((2-(indolin-1-yl)-2-oxoethyl)thio)-4-methyl-4H-1,2,4-triazol-3-yl)phenyl)benzamide, 4-butoxy-N-[3-[5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]phenyl]benzamide
| Molecular Formula | C30H31N5O3S |
|---|---|
| Molecular Weight | 541.21 g/mol |
| LogP | 5.5947 |
| Topological Polar Surface Area | 89.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 541.2148 |
| Heavy Atoms | 39 |
| Complexity | 1467.7166 |
Chemical Identifiers
| CAS Number | 500264-87-9 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C3=NN=C(N3C)SCC(=O)N4CCC5=CC=CC=C54 |
Product Overview
AQ-088/41085233 (CAS 500264-87-9), with molecular formula C30H31N5O3S and molecular weight 541.21 g/mol. IUPAC: 4-butoxy-N-[3-[5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]phenyl]benzamide.
Chemical Property Profile of AQ-088/41085233
Property Insights of AQ-088/41085233
The XLogP value of 5.5947 indicates that AQ-088/41085233 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.35 Ų falls within the moderate polarity range, balancing permeability and solubility for AQ-088/41085233. Following Lipinski's Rule of Five, AQ-088/41085233 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-088/41085233?
The CAS number of AQ-088/41085233 is 500264-87-9.
What is the molecular formula of AQ-088/41085233?
The molecular formula of AQ-088/41085233 is C30H31N5O3S.
What is the molecular weight of AQ-088/41085233?
The molecular weight of AQ-088/41085233 is 541.21 g/mol.
Where can I buy AQ-088/41085233?
You can request a quote for AQ-088/41085233 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AQ-088/41085233?
Yes, KEHONG BIO provides custom synthesis services for AQ-088/41085233 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.