AQ-088/41137420
TL;DR: AQ-088/41137420 (CAS 511307-94-1) is a chemical compound with molecular formula C17H19N5O2S and molecular weight 357.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(4-aminophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
Also Known As: AQ-088/41137420, 2-((5-(4-aminophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N-(furan-2-ylmethyl)acetamide, 2-[[5-(4-aminophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide, 2-{[5-(4-aminophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-furylmethyl)acetamide, 2-{[5-(4-aminophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(furan-2-ylmethyl)acetamide
| Molecular Formula | C17H19N5O2S |
|---|---|
| Molecular Weight | 357.13 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 357.12595 |
| Heavy Atoms | 25 |
| Complexity | 433.0 |
Chemical Identifiers
| CAS Number | 511307-94-1 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NCC2=CC=CO2)C3=CC=C(C=C3)N |
| InChIKey | KDQSZTFUTJGLKT-UHFFFAOYSA-N |
Product Overview
AQ-088/41137420 (CAS 511307-94-1), with molecular formula C17H19N5O2S and molecular weight 357.13 g/mol. IUPAC: 2-[[5-(4-aminophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide.
Chemical Property Profile of AQ-088/41137420
Property Insights of AQ-088/41137420
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AQ-088/41137420. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for AQ-088/41137420. Following Lipinski's Rule of Five, AQ-088/41137420 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-088/41137420?
The CAS number of AQ-088/41137420 is 511307-94-1.
What is the molecular formula of AQ-088/41137420?
The molecular formula of AQ-088/41137420 is C17H19N5O2S.
What is the molecular weight of AQ-088/41137420?
The molecular weight of AQ-088/41137420 is 357.13 g/mol.
Where can I buy AQ-088/41137420?
You can request a quote for AQ-088/41137420 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AQ-088/41137420?
Yes, KEHONG BIO provides custom synthesis services for AQ-088/41137420 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.