1-(3,4-Dihydro-1H-isoquinolin-2-yl)-2-(5-thiophen-2-yl-tetrazol-2-yl)-ethanone
TL;DR: 1-(3,4-Dihydro-1H-isoquinolin-2-yl)-2-(5-thiophen-2-yl-tetrazol-2-yl)-ethanone (CAS 557779-71-2) is a chemical compound with molecular formula C16H15N5OS and molecular weight 325.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(5-thiophen-2-yltetrazol-2-yl)ethanone
Also Known As: ASN 03366246, 1-(3,4-Dihydro-1H-isoquinolin-2-yl)-2-(5-thiophen-2-yl-tetrazol-2-yl)-ethanone, 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(5-thiophen-2-yltetrazol-2-yl)ethanone, 1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-(5thiophen-2-yl)-2H-tetrazol-2-yl)ethanone, 3, 1-(1,2,3,4-tetrahydroisoquinolin-2-yl)-2-[5-(thiophen-2-yl)-2H-1,2,3,4-tetrazol-2-yl]ethan-1-one
| Molecular Formula | C16H15N5OS |
|---|---|
| Molecular Weight | 325.10 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 92.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 325.09973 |
| Heavy Atoms | 23 |
| Complexity | 437.0 |
Chemical Identifiers
| CAS Number | 557779-71-2 |
|---|---|
| SMILES | C1CN(CC2=CC=CC=C21)C(=O)CN3N=C(N=N3)C4=CC=CS4 |
| InChIKey | TWSRTYYHXLBOCX-UHFFFAOYSA-N |
Product Overview
1-(3,4-Dihydro-1H-isoquinolin-2-yl)-2-(5-thiophen-2-yl-tetrazol-2-yl)-ethanone (CAS 557779-71-2), with molecular formula C16H15N5OS and molecular weight 325.10 g/mol. IUPAC: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(5-thiophen-2-yltetrazol-2-yl)ethanone.
Chemical Property Profile of 1-(3,4-Dihydro-1H-isoquinolin-2-yl)-2-(5-thiophen-2-yl-tetrazol-2-yl)-ethanone
Property Insights of 1-(3,4-Dihydro-1H-isoquinolin-2-yl)-2-(5-thiophen-2-yl-tetrazol-2-yl)-ethanone
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3,4-Dihydro-1H-isoquinolin-2-yl)-2-(5-thiophen-2-yl-tetrazol-2-yl)-ethanone. The TPSA of 92.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3,4-Dihydro-1H-isoquinolin-2-yl)-2-(5-thiophen-2-yl-tetrazol-2-yl)-ethanone. Following Lipinski's Rule of Five, 1-(3,4-Dihydro-1H-isoquinolin-2-yl)-2-(5-thiophen-2-yl-tetrazol-2-yl)-ethanone has 0 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 1-(3,4-Dihydro-1H-isoquinolin-2-yl)-2-(5-thiophen-2-yl-tetrazol-2-yl)-ethanone?
The CAS number of 1-(3,4-Dihydro-1H-isoquinolin-2-yl)-2-(5-thiophen-2-yl-tetrazol-2-yl)-ethanone is 557779-71-2.
What is the molecular formula of 1-(3,4-Dihydro-1H-isoquinolin-2-yl)-2-(5-thiophen-2-yl-tetrazol-2-yl)-ethanone?
The molecular formula of 1-(3,4-Dihydro-1H-isoquinolin-2-yl)-2-(5-thiophen-2-yl-tetrazol-2-yl)-ethanone is C16H15N5OS.
What is the molecular weight of 1-(3,4-Dihydro-1H-isoquinolin-2-yl)-2-(5-thiophen-2-yl-tetrazol-2-yl)-ethanone?
The molecular weight of 1-(3,4-Dihydro-1H-isoquinolin-2-yl)-2-(5-thiophen-2-yl-tetrazol-2-yl)-ethanone is 325.10 g/mol.
Where can I buy 1-(3,4-Dihydro-1H-isoquinolin-2-yl)-2-(5-thiophen-2-yl-tetrazol-2-yl)-ethanone?
You can request a quote for 1-(3,4-Dihydro-1H-isoquinolin-2-yl)-2-(5-thiophen-2-yl-tetrazol-2-yl)-ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3,4-Dihydro-1H-isoquinolin-2-yl)-2-(5-thiophen-2-yl-tetrazol-2-yl)-ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,4-Dihydro-1H-isoquinolin-2-yl)-2-(5-thiophen-2-yl-tetrazol-2-yl)-ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.