N-(4-phenoxyphenyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide
TL;DR: N-(4-phenoxyphenyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide (CAS 485764-93-0) is a chemical compound with molecular formula C22H20N2OS and molecular weight 360.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-phenoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide
Also Known As: AJ-292/41694496, N-(4-phenoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide, N-(4-phenoxyphenyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide, [(4-phenoxyphenyl)amino]-2-1,2,3,4-tetrahydroisoquinolylmethane-1-thione
| Molecular Formula | C22H20N2OS |
|---|---|
| Molecular Weight | 360.13 g/mol |
| LogP | 5.234 |
| Topological Polar Surface Area | 24.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 360.12964 |
| Heavy Atoms | 26 |
| Complexity | 893.5305 |
Chemical Identifiers
| CAS Number | 485764-93-0 |
|---|---|
| SMILES | C1CN(CC2=CC=CC=C21)C(=S)NC3=CC=C(C=C3)OC4=CC=CC=C4 |
Product Overview
N-(4-phenoxyphenyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide (CAS 485764-93-0), with molecular formula C22H20N2OS and molecular weight 360.13 g/mol. IUPAC: N-(4-phenoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide.
Chemical Property Profile of N-(4-phenoxyphenyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide
Property Insights of N-(4-phenoxyphenyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide
The XLogP value of 5.234 indicates that N-(4-phenoxyphenyl)-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-(4-phenoxyphenyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-phenoxyphenyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(4-phenoxyphenyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide?
The CAS number of N-(4-phenoxyphenyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide is 485764-93-0.
What is the molecular formula of N-(4-phenoxyphenyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide?
The molecular formula of N-(4-phenoxyphenyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide is C22H20N2OS.
What is the molecular weight of N-(4-phenoxyphenyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide?
The molecular weight of N-(4-phenoxyphenyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide is 360.13 g/mol.
Where can I buy N-(4-phenoxyphenyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide?
You can request a quote for N-(4-phenoxyphenyl)-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-(4-phenoxyphenyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-phenoxyphenyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.