AQ-088/41086169
TL;DR: AQ-088/41086169 (CAS 500265-54-3) is a chemical compound with molecular formula C23H21N5O3S and molecular weight 447.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-[5-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]phenyl]benzamide
Also Known As: AQ-088/41086169, N-[3-[5-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]phenyl]benzamide, N-(3-(5-((2-((furan-2-ylmethyl)amino)-2-oxoethyl)thio)-4-methyl-4H-1,2,4-triazol-3-yl)phenyl)benzamide, N-[3-[5-(2-furylmethylcarbamoylmethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]phenyl]benzamide, N-{3-[5-({2-[(2-furylmethyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]phenyl}benzamide
| Molecular Formula | C23H21N5O3S |
|---|---|
| Molecular Weight | 447.14 g/mol |
| LogP | 3.7359 |
| Topological Polar Surface Area | 102.05 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 447.1365 |
| Heavy Atoms | 32 |
| Complexity | 1205.6221 |
Chemical Identifiers
| CAS Number | 500265-54-3 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)NCC2=CC=CO2)C3=CC(=CC=C3)NC(=O)C4=CC=CC=C4 |
Product Overview
AQ-088/41086169 (CAS 500265-54-3), with molecular formula C23H21N5O3S and molecular weight 447.14 g/mol. IUPAC: N-[3-[5-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]phenyl]benzamide.
Chemical Property Profile of AQ-088/41086169
Property Insights of AQ-088/41086169
The XLogP value of 3.7359 indicates that AQ-088/41086169 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.05 Ų falls within the moderate polarity range, balancing permeability and solubility for AQ-088/41086169. Following Lipinski's Rule of Five, AQ-088/41086169 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-088/41086169?
The CAS number of AQ-088/41086169 is 500265-54-3.
What is the molecular formula of AQ-088/41086169?
The molecular formula of AQ-088/41086169 is C23H21N5O3S.
What is the molecular weight of AQ-088/41086169?
The molecular weight of AQ-088/41086169 is 447.14 g/mol.
Where can I buy AQ-088/41086169?
You can request a quote for AQ-088/41086169 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AQ-088/41086169?
Yes, KEHONG BIO provides custom synthesis services for AQ-088/41086169 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.