N-(2-methoxyphenyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide
TL;DR: N-(2-methoxyphenyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide (CAS 406925-60-8) is a chemical compound with molecular formula C17H18N2OS and molecular weight 298.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-methoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide
Also Known As: AB00044369-01, N-(2-methoxyphenyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide, N-(2-methoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide, [(2-methoxyphenyl)amino]-2-1,2,3,4-tetrahydroisoquinolylmethane-1-thione, N-(2-METHOXYPHENYL)-3,4-DIHYDRO-2(1H)-ISOQUINOLINECARBOTHIOAMIDE
| Molecular Formula | C17H18N2OS |
|---|---|
| Molecular Weight | 298.11 g/mol |
| LogP | 3.4503 |
| Topological Polar Surface Area | 24.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 298.11398 |
| Heavy Atoms | 21 |
| Complexity | 656.7433 |
Chemical Identifiers
| CAS Number | 406925-60-8 |
|---|---|
| SMILES | COC1=CC=CC=C1NC(=S)N2CCC3=CC=CC=C3C2 |
Product Overview
N-(2-methoxyphenyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide (CAS 406925-60-8), with molecular formula C17H18N2OS and molecular weight 298.11 g/mol. IUPAC: N-(2-methoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide.
Chemical Property Profile of N-(2-methoxyphenyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide
Property Insights of N-(2-methoxyphenyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide
The XLogP value of 3.4503 indicates that N-(2-methoxyphenyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.5 Ų, N-(2-methoxyphenyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2-methoxyphenyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide has 1 hydrogen bond donor(s) and 2 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-methoxyphenyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide?
The CAS number of N-(2-methoxyphenyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide is 406925-60-8.
What is the molecular formula of N-(2-methoxyphenyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide?
The molecular formula of N-(2-methoxyphenyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide is C17H18N2OS.
What is the molecular weight of N-(2-methoxyphenyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide?
The molecular weight of N-(2-methoxyphenyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide is 298.11 g/mol.
Where can I buy N-(2-methoxyphenyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide?
You can request a quote for N-(2-methoxyphenyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-methoxyphenyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-methoxyphenyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.