![N-[2-(4-Chlorophenyl)ethyl]-3,4-dihydro-2(1H)-isoquinolinecarbothioamide structure](/static/products/1024/1024122-16-4.webp)
N-[2-(4-Chlorophenyl)ethyl]-3,4-dihydro-2(1H)-isoquinolinecarbothioamide
TL;DR: N-[2-(4-Chlorophenyl)ethyl]-3,4-dihydro-2(1H)-isoquinolinecarbothioamide (CAS 1024122-16-4) is a chemical compound with molecular formula C18H19ClN2S and molecular weight 330.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(4-chlorophenyl)ethyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide
Also Known As: AB00040778-01, N-[2-(4-chlorophenyl)ethyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide, N-[2-(4-Chlorophenyl)ethyl]-3,4-dihydro-2(1H)-isoquinolinecarbothioamide
| Molecular Formula | C18H19ClN2S |
|---|---|
| Molecular Weight | 330.10 g/mol |
| LogP | 3.8153 |
| Topological Polar Surface Area | 15.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 330.09573 |
| Heavy Atoms | 22 |
| Complexity | 654.39166 |
Chemical Identifiers
| CAS Number | 1024122-16-4 |
|---|---|
| SMILES | C1CN(CC2=CC=CC=C21)C(=S)NCCC3=CC=C(C=C3)Cl |
Product Overview
N-[2-(4-Chlorophenyl)ethyl]-3,4-dihydro-2(1H)-isoquinolinecarbothioamide (CAS 1024122-16-4), with molecular formula C18H19ClN2S and molecular weight 330.10 g/mol. IUPAC: N-[2-(4-chlorophenyl)ethyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide.
Chemical Property Profile of N-[2-(4-Chlorophenyl)ethyl]-3,4-dihydro-2(1H)-isoquinolinecarbothioamide
Property Insights of N-[2-(4-Chlorophenyl)ethyl]-3,4-dihydro-2(1H)-isoquinolinecarbothioamide
The XLogP value of 3.8153 indicates that N-[2-(4-Chlorophenyl)ethyl]-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-(4-Chlorophenyl)ethyl]-3,4-dihydro-2(1H)-isoquinolinecarbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[2-(4-Chlorophenyl)ethyl]-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-(4-Chlorophenyl)ethyl]-3,4-dihydro-2(1H)-isoquinolinecarbothioamide?
The CAS number of N-[2-(4-Chlorophenyl)ethyl]-3,4-dihydro-2(1H)-isoquinolinecarbothioamide is 1024122-16-4.
What is the molecular formula of N-[2-(4-Chlorophenyl)ethyl]-3,4-dihydro-2(1H)-isoquinolinecarbothioamide?
The molecular formula of N-[2-(4-Chlorophenyl)ethyl]-3,4-dihydro-2(1H)-isoquinolinecarbothioamide is C18H19ClN2S.
What is the molecular weight of N-[2-(4-Chlorophenyl)ethyl]-3,4-dihydro-2(1H)-isoquinolinecarbothioamide?
The molecular weight of N-[2-(4-Chlorophenyl)ethyl]-3,4-dihydro-2(1H)-isoquinolinecarbothioamide is 330.10 g/mol.
Where can I buy N-[2-(4-Chlorophenyl)ethyl]-3,4-dihydro-2(1H)-isoquinolinecarbothioamide?
You can request a quote for N-[2-(4-Chlorophenyl)ethyl]-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-(4-Chlorophenyl)ethyl]-3,4-dihydro-2(1H)-isoquinolinecarbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-[2-(4-Chlorophenyl)ethyl]-3,4-dihydro-2(1H)-isoquinolinecarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.