![2-[(4-amino-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone structure](/static/products/4960/496033-23-9.webp)
2-[(4-amino-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
TL;DR: 2-[(4-amino-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone (CAS 496033-23-9) is a chemical compound with molecular formula C16H21N5OS and molecular weight 331.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-amino-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
Also Known As: 2-[(4-amino-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone, 2-[(4-amino-5-propyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one, 2-(4-amino-5-propyl(1,2,4-triazol-3-ylthio))-1-(1,2,3,4-tetrahydroquinolyl)eth an-1-one
| Molecular Formula | C16H21N5OS |
|---|---|
| Molecular Weight | 331.15 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 331.14667 |
| Heavy Atoms | 23 |
| Complexity | 410.0 |
Chemical Identifiers
| CAS Number | 496033-23-9 |
|---|---|
| SMILES | CCCC1=NN=C(N1N)SCC(=O)N2CCCC3=CC=CC=C32 |
| InChIKey | ZLHKLUJPKPDJEM-UHFFFAOYSA-N |
Product Overview
2-[(4-amino-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone (CAS 496033-23-9), with molecular formula C16H21N5OS and molecular weight 331.15 g/mol. IUPAC: 2-[(4-amino-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone.
Chemical Property Profile of 2-[(4-amino-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
Property Insights of 2-[(4-amino-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(4-amino-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(4-amino-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone. Following Lipinski's Rule of Five, 2-[(4-amino-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone 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 2-[(4-amino-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone?
The CAS number of 2-[(4-amino-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone is 496033-23-9.
What is the molecular formula of 2-[(4-amino-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone?
The molecular formula of 2-[(4-amino-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone is C16H21N5OS.
What is the molecular weight of 2-[(4-amino-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone?
The molecular weight of 2-[(4-amino-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone is 331.15 g/mol.
Where can I buy 2-[(4-amino-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone?
You can request a quote for 2-[(4-amino-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(4-amino-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-amino-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.