![N-[1-(1-adamantyl)ethyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide structure](/static/products/5213/521327-87-7.webp)
N-[1-(1-adamantyl)ethyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide
TL;DR: N-[1-(1-adamantyl)ethyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide (CAS 521327-87-7) is a chemical compound with molecular formula C22H30N2S and molecular weight 354.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-(1-adamantyl)ethyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide
Also Known As: ChemDiv3_005704, IDI1_023614, BRD-A20676778-001-01-8, N-[1-(1-adamantyl)ethyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide, [(adamantanylethyl)amino]-2-1,2,3,4-tetrahydroisoquinolylmethane-1-thione
| Molecular Formula | C22H30N2S |
|---|---|
| Molecular Weight | 354.21 g/mol |
| LogP | 4.5241 |
| Topological Polar Surface Area | 15.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 354.21298 |
| Heavy Atoms | 25 |
| Complexity | 647.0755 |
Chemical Identifiers
| CAS Number | 521327-87-7 |
|---|---|
| SMILES | CC(C12CC3CC(C1)CC(C3)C2)NC(=S)N4CCC5=CC=CC=C5C4 |
Product Overview
N-[1-(1-adamantyl)ethyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide (CAS 521327-87-7), with molecular formula C22H30N2S and molecular weight 354.21 g/mol. IUPAC: N-[1-(1-adamantyl)ethyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide.
Chemical Property Profile of N-[1-(1-adamantyl)ethyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide
Property Insights of N-[1-(1-adamantyl)ethyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide
The XLogP value of 4.5241 indicates that N-[1-(1-adamantyl)ethyl]-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-[1-(1-adamantyl)ethyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[1-(1-adamantyl)ethyl]-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-[1-(1-adamantyl)ethyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide?
The CAS number of N-[1-(1-adamantyl)ethyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide is 521327-87-7.
What is the molecular formula of N-[1-(1-adamantyl)ethyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide?
The molecular formula of N-[1-(1-adamantyl)ethyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide is C22H30N2S.
What is the molecular weight of N-[1-(1-adamantyl)ethyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide?
The molecular weight of N-[1-(1-adamantyl)ethyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide is 354.21 g/mol.
Where can I buy N-[1-(1-adamantyl)ethyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide?
You can request a quote for N-[1-(1-adamantyl)ethyl]-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-[1-(1-adamantyl)ethyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-[1-(1-adamantyl)ethyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.