N-benzyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide
TL;DR: N-benzyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide (CAS 454653-40-8) is a chemical compound with molecular formula C17H18N2S and molecular weight 282.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide
Also Known As: N-benzyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide, N-Benzyl-3,4-dihydroisoquinoline-2(1H)-carbothioamide
| Molecular Formula | C17H18N2S |
|---|---|
| Molecular Weight | 282.12 g/mol |
| LogP | 3.1194 |
| Topological Polar Surface Area | 15.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 282.11908 |
| Heavy Atoms | 20 |
| Complexity | 594.9488 |
Chemical Identifiers
| CAS Number | 454653-40-8 |
|---|---|
| SMILES | C1CN(CC2=CC=CC=C21)C(=S)NCC3=CC=CC=C3 |
Product Overview
N-benzyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide (CAS 454653-40-8), with molecular formula C17H18N2S and molecular weight 282.12 g/mol. IUPAC: N-benzyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide.
Chemical Property Profile of N-benzyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide
Property Insights of N-benzyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide
The XLogP value of 3.1194 indicates that N-benzyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide 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-benzyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-benzyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide 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-benzyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide?
The CAS number of N-benzyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide is 454653-40-8.
What is the molecular formula of N-benzyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide?
The molecular formula of N-benzyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide is C17H18N2S.
What is the molecular weight of N-benzyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide?
The molecular weight of N-benzyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide is 282.12 g/mol.
Where can I buy N-benzyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide?
You can request a quote for N-benzyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-benzyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.