N-cyclohexyl-3,4-dihydroisoquinoline-2(1H)-carbothioamide
TL;DR: N-cyclohexyl-3,4-dihydroisoquinoline-2(1H)-carbothioamide (CAS 351163-77-4) is a chemical compound with molecular formula C16H22N2S and molecular weight 274.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-cyclohexyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide
Also Known As: N-cyclohexyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide, N-cyclohexyl-3,4-dihydroisoquinoline-2(1H)-carbothioamide, N-cyclohexyl-3,4-dihydro-2(1H)-isoquinolinecarbothioamide, (cyclohexylamino)-2-1,2,3,4-tetrahydroisoquinolylmethane-1-thione, N-CYCLOHEXYL-1,2,3,4-TETRAHYDROISOQUINOLINE-2-CARBOTHIOAMIDE
| Molecular Formula | C16H22N2S |
|---|---|
| Molecular Weight | 274.15 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 47.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 274.15036 |
| Heavy Atoms | 19 |
| Complexity | 312.0 |
Chemical Identifiers
| CAS Number | 351163-77-4 |
|---|---|
| SMILES | C1CCC(CC1)NC(=S)N2CCC3=CC=CC=C3C2 |
| InChIKey | WRQGZJRDFGPJKX-UHFFFAOYSA-N |
Product Overview
N-cyclohexyl-3,4-dihydroisoquinoline-2(1H)-carbothioamide (CAS 351163-77-4), with molecular formula C16H22N2S and molecular weight 274.15 g/mol. IUPAC: N-cyclohexyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide.
Chemical Property Profile of N-cyclohexyl-3,4-dihydroisoquinoline-2(1H)-carbothioamide
Property Insights of N-cyclohexyl-3,4-dihydroisoquinoline-2(1H)-carbothioamide
The XLogP value of 3.5 indicates that N-cyclohexyl-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 47.4 Ų, N-cyclohexyl-3,4-dihydroisoquinoline-2(1H)-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-cyclohexyl-3,4-dihydroisoquinoline-2(1H)-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-cyclohexyl-3,4-dihydroisoquinoline-2(1H)-carbothioamide?
The CAS number of N-cyclohexyl-3,4-dihydroisoquinoline-2(1H)-carbothioamide is 351163-77-4.
What is the molecular formula of N-cyclohexyl-3,4-dihydroisoquinoline-2(1H)-carbothioamide?
The molecular formula of N-cyclohexyl-3,4-dihydroisoquinoline-2(1H)-carbothioamide is C16H22N2S.
What is the molecular weight of N-cyclohexyl-3,4-dihydroisoquinoline-2(1H)-carbothioamide?
The molecular weight of N-cyclohexyl-3,4-dihydroisoquinoline-2(1H)-carbothioamide is 274.15 g/mol.
Where can I buy N-cyclohexyl-3,4-dihydroisoquinoline-2(1H)-carbothioamide?
You can request a quote for N-cyclohexyl-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-cyclohexyl-3,4-dihydroisoquinoline-2(1H)-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-cyclohexyl-3,4-dihydroisoquinoline-2(1H)-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.