N-(2-phenylethyl)-3,4-dihydro-2(1H)-isoquinolinecarbothioamide
TL;DR: N-(2-phenylethyl)-3,4-dihydro-2(1H)-isoquinolinecarbothioamide (CAS 455288-90-1) is a chemical compound with molecular formula C18H20N2S and molecular weight 296.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-phenylethyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide
Also Known As: N-phenethyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide, N-(2-phenylethyl)-1,2,3,4-tetrahydroisoquinoline-2-carbothioamide, N-(2-phenylethyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide, N-(2-phenylethyl)-3,4-dihydro-2(1H)-isoquinolinecarbothioamide, N-(2-phenylethyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide
| Molecular Formula | C18H20N2S |
|---|---|
| Molecular Weight | 296.13 g/mol |
| LogP | 3.1619 |
| Topological Polar Surface Area | 15.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 296.1347 |
| Heavy Atoms | 21 |
| Complexity | 609.6252 |
Chemical Identifiers
| CAS Number | 455288-90-1 |
|---|---|
| SMILES | C1CN(CC2=CC=CC=C21)C(=S)NCCC3=CC=CC=C3 |
Product Overview
N-(2-phenylethyl)-3,4-dihydro-2(1H)-isoquinolinecarbothioamide (CAS 455288-90-1), with molecular formula C18H20N2S and molecular weight 296.13 g/mol. IUPAC: N-(2-phenylethyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide.
Chemical Property Profile of N-(2-phenylethyl)-3,4-dihydro-2(1H)-isoquinolinecarbothioamide
Property Insights of N-(2-phenylethyl)-3,4-dihydro-2(1H)-isoquinolinecarbothioamide
The XLogP value of 3.1619 indicates that N-(2-phenylethyl)-3,4-dihydro-2(1H)-isoquinolinecarbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 15.27 Ų, N-(2-phenylethyl)-3,4-dihydro-2(1H)-isoquinolinecarbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2-phenylethyl)-3,4-dihydro-2(1H)-isoquinolinecarbothioamide has 1 hydrogen bond donor(s) and 1 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 N-(2-phenylethyl)-3,4-dihydro-2(1H)-isoquinolinecarbothioamide?
The CAS number of N-(2-phenylethyl)-3,4-dihydro-2(1H)-isoquinolinecarbothioamide is 455288-90-1.
What is the molecular formula of N-(2-phenylethyl)-3,4-dihydro-2(1H)-isoquinolinecarbothioamide?
The molecular formula of N-(2-phenylethyl)-3,4-dihydro-2(1H)-isoquinolinecarbothioamide is C18H20N2S.
What is the molecular weight of N-(2-phenylethyl)-3,4-dihydro-2(1H)-isoquinolinecarbothioamide?
The molecular weight of N-(2-phenylethyl)-3,4-dihydro-2(1H)-isoquinolinecarbothioamide is 296.13 g/mol.
Where can I buy N-(2-phenylethyl)-3,4-dihydro-2(1H)-isoquinolinecarbothioamide?
You can request a quote for N-(2-phenylethyl)-3,4-dihydro-2(1H)-isoquinolinecarbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-phenylethyl)-3,4-dihydro-2(1H)-isoquinolinecarbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-phenylethyl)-3,4-dihydro-2(1H)-isoquinolinecarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.