![N-(4H-1,2,4-triazol-4-yl)-4'H-spiro[cyclohexane-1,3'-isoquinolin]-1'-amine structure](/static/products/2967/296793-41-4.webp)
N-(4H-1,2,4-triazol-4-yl)-4'H-spiro[cyclohexane-1,3'-isoquinolin]-1'-amine
TL;DR: N-(4H-1,2,4-triazol-4-yl)-4'H-spiro[cyclohexane-1,3'-isoquinolin]-1'-amine (CAS 296793-41-4) is a chemical compound with molecular formula C16H19N5 and molecular weight 281.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,2,4-triazol-4-yl)spiro[4H-isoquinoline-3,1'-cyclohexane]-1-amine
Also Known As: ChemDiv1_027474, BAS 01025035, N-(4H-1,2,4-triazol-4-yl)-4'H-spiro[cyclohexane-1,3'-isoquinolin]-1'-amine, N-(1,2,4-triazol-4-yl)spiro[4H-isoquinoline-3,1'-cyclohexane]-1-amine
| Molecular Formula | C16H19N5 |
|---|---|
| Molecular Weight | 281.16 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 281.16403 |
| Heavy Atoms | 21 |
| Complexity | 395.0 |
Chemical Identifiers
| CAS Number | 296793-41-4 |
|---|---|
| SMILES | C1CCC2(CC1)CC3=CC=CC=C3C(=N2)NN4C=NN=C4 |
| InChIKey | VUELXYPNQGCSQG-UHFFFAOYSA-N |
Product Overview
N-(4H-1,2,4-triazol-4-yl)-4'H-spiro[cyclohexane-1,3'-isoquinolin]-1'-amine (CAS 296793-41-4), with molecular formula C16H19N5 and molecular weight 281.16 g/mol. IUPAC: N-(1,2,4-triazol-4-yl)spiro[4H-isoquinoline-3,1'-cyclohexane]-1-amine.
Chemical Property Profile of N-(4H-1,2,4-triazol-4-yl)-4'H-spiro[cyclohexane-1,3'-isoquinolin]-1'-amine
Property Insights of N-(4H-1,2,4-triazol-4-yl)-4'H-spiro[cyclohexane-1,3'-isoquinolin]-1'-amine
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4H-1,2,4-triazol-4-yl)-4'H-spiro[cyclohexane-1,3'-isoquinolin]-1'-amine. With a topological polar surface area (TPSA) of 55.1 Ų, N-(4H-1,2,4-triazol-4-yl)-4'H-spiro[cyclohexane-1,3'-isoquinolin]-1'-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4H-1,2,4-triazol-4-yl)-4'H-spiro[cyclohexane-1,3'-isoquinolin]-1'-amine has 1 hydrogen bond donor(s) and 3 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-(4H-1,2,4-triazol-4-yl)-4'H-spiro[cyclohexane-1,3'-isoquinolin]-1'-amine?
The CAS number of N-(4H-1,2,4-triazol-4-yl)-4'H-spiro[cyclohexane-1,3'-isoquinolin]-1'-amine is 296793-41-4.
What is the molecular formula of N-(4H-1,2,4-triazol-4-yl)-4'H-spiro[cyclohexane-1,3'-isoquinolin]-1'-amine?
The molecular formula of N-(4H-1,2,4-triazol-4-yl)-4'H-spiro[cyclohexane-1,3'-isoquinolin]-1'-amine is C16H19N5.
What is the molecular weight of N-(4H-1,2,4-triazol-4-yl)-4'H-spiro[cyclohexane-1,3'-isoquinolin]-1'-amine?
The molecular weight of N-(4H-1,2,4-triazol-4-yl)-4'H-spiro[cyclohexane-1,3'-isoquinolin]-1'-amine is 281.16 g/mol.
Where can I buy N-(4H-1,2,4-triazol-4-yl)-4'H-spiro[cyclohexane-1,3'-isoquinolin]-1'-amine?
You can request a quote for N-(4H-1,2,4-triazol-4-yl)-4'H-spiro[cyclohexane-1,3'-isoquinolin]-1'-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4H-1,2,4-triazol-4-yl)-4'H-spiro[cyclohexane-1,3'-isoquinolin]-1'-amine?
Yes, KEHONG BIO provides custom synthesis services for N-(4H-1,2,4-triazol-4-yl)-4'H-spiro[cyclohexane-1,3'-isoquinolin]-1'-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.