BAS 05590142
TL;DR: BAS 05590142 (CAS 500265-85-0) is a chemical compound with molecular formula C20H21N5OS and molecular weight 379.15 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]-1-(2,3-dihydroindol-1-yl)ethanone
Also Known As: BAS 05590142, AQ-088/41136956, 2-[[5-(4-aminophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-(2,3-dihydroindol-1-yl)ethanone, 2-((5-(4-aminophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-1-(indolin-1-yl)ethanone, 2-[5-(4-aminophenyl)-4-ethyl(1,2,4-triazol-3-ylthio)]-1-indolinylethan-1-one
| Molecular Formula | C20H21N5OS |
|---|---|
| Molecular Weight | 379.15 g/mol |
| LogP | 3.2286 |
| Topological Polar Surface Area | 77.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 379.14667 |
| Heavy Atoms | 27 |
| Complexity | 966.75836 |
Chemical Identifiers
| CAS Number | 500265-85-0 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)N2CCC3=CC=CC=C32)C4=CC=C(C=C4)N |
Product Overview
BAS 05590142 (CAS 500265-85-0), with molecular formula C20H21N5OS and molecular weight 379.15 g/mol. IUPAC: 2-[[5-(4-aminophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-(2,3-dihydroindol-1-yl)ethanone.
Chemical Property Profile of BAS 05590142
Property Insights of BAS 05590142
The XLogP value of 3.2286 indicates that BAS 05590142 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.04 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 05590142. Following Lipinski's Rule of Five, BAS 05590142 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 BAS 05590142?
The CAS number of BAS 05590142 is 500265-85-0.
What is the molecular formula of BAS 05590142?
The molecular formula of BAS 05590142 is C20H21N5OS.
What is the molecular weight of BAS 05590142?
The molecular weight of BAS 05590142 is 379.15 g/mol.
Where can I buy BAS 05590142?
You can request a quote for BAS 05590142 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 05590142?
Yes, KEHONG BIO provides custom synthesis services for BAS 05590142 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.