N-cyclopentyl-3,4-dihydroisoquinoline-2(1H)-carbothioamide
TL;DR: N-cyclopentyl-3,4-dihydroisoquinoline-2(1H)-carbothioamide (CAS 675153-94-3) is a chemical compound with molecular formula C15H20N2S and molecular weight 260.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-cyclopentyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide
Also Known As: N-cyclopentyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide, N-cyclopentyl-3,4-dihydroisoquinoline-2(1H)-carbothioamide
| Molecular Formula | C15H20N2S |
|---|---|
| Molecular Weight | 260.13 g/mol |
| LogP | 2.8618 |
| Topological Polar Surface Area | 15.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 260.1347 |
| Heavy Atoms | 18 |
| Complexity | 437.87466 |
Chemical Identifiers
| CAS Number | 675153-94-3 |
|---|---|
| SMILES | C1CCC(C1)NC(=S)N2CCC3=CC=CC=C3C2 |
Product Overview
N-cyclopentyl-3,4-dihydroisoquinoline-2(1H)-carbothioamide (CAS 675153-94-3), with molecular formula C15H20N2S and molecular weight 260.13 g/mol. IUPAC: N-cyclopentyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide.
Chemical Property Profile of N-cyclopentyl-3,4-dihydroisoquinoline-2(1H)-carbothioamide
Property Insights of N-cyclopentyl-3,4-dihydroisoquinoline-2(1H)-carbothioamide
The XLogP value of 2.8618 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-cyclopentyl-3,4-dihydroisoquinoline-2(1H)-carbothioamide. With a topological polar surface area (TPSA) of 15.27 Ų, N-cyclopentyl-3,4-dihydroisoquinoline-2(1H)-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-cyclopentyl-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-cyclopentyl-3,4-dihydroisoquinoline-2(1H)-carbothioamide?
The CAS number of N-cyclopentyl-3,4-dihydroisoquinoline-2(1H)-carbothioamide is 675153-94-3.
What is the molecular formula of N-cyclopentyl-3,4-dihydroisoquinoline-2(1H)-carbothioamide?
The molecular formula of N-cyclopentyl-3,4-dihydroisoquinoline-2(1H)-carbothioamide is C15H20N2S.
What is the molecular weight of N-cyclopentyl-3,4-dihydroisoquinoline-2(1H)-carbothioamide?
The molecular weight of N-cyclopentyl-3,4-dihydroisoquinoline-2(1H)-carbothioamide is 260.13 g/mol.
Where can I buy N-cyclopentyl-3,4-dihydroisoquinoline-2(1H)-carbothioamide?
You can request a quote for N-cyclopentyl-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-cyclopentyl-3,4-dihydroisoquinoline-2(1H)-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-cyclopentyl-3,4-dihydroisoquinoline-2(1H)-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.