![Spiro[2,4-dihydroisoquinoline-3,1'-cyclohexane]-1-one structure](/static/products/1206/120637-41-4.webp)
Spiro[2,4-dihydroisoquinoline-3,1'-cyclohexane]-1-one
TL;DR: Spiro[2,4-dihydroisoquinoline-3,1'-cyclohexane]-1-one (CAS 120637-41-4) is a chemical compound with molecular formula C14H17NO and molecular weight 215.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
spiro[2,4-dihydroisoquinoline-3,1'-cyclohexane]-1-one
Also Known As: BAS 00899327, BIM-0022450.P001, 3,3-pentamethylene-3,4-dihydroisoquinolin-1-one, AB00086972-01, 2'H-spiro[cyclohexane-1,3'-isoquinolin]-1'(4'H)-one
| Molecular Formula | C14H17NO |
|---|---|
| Molecular Weight | 215.13 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 215.13101 |
| Heavy Atoms | 16 |
| Complexity | 280.0 |
Chemical Identifiers
| CAS Number | 120637-41-4 |
|---|---|
| SMILES | C1CCC2(CC1)CC3=CC=CC=C3C(=O)N2 |
| InChIKey | BOINCCWBKQGBJT-UHFFFAOYSA-N |
Product Overview
Spiro[2,4-dihydroisoquinoline-3,1'-cyclohexane]-1-one (CAS 120637-41-4), with molecular formula C14H17NO and molecular weight 215.13 g/mol. IUPAC: spiro[2,4-dihydroisoquinoline-3,1'-cyclohexane]-1-one.
Chemical Property Profile of Spiro[2,4-dihydroisoquinoline-3,1'-cyclohexane]-1-one
Property Insights of Spiro[2,4-dihydroisoquinoline-3,1'-cyclohexane]-1-one
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Spiro[2,4-dihydroisoquinoline-3,1'-cyclohexane]-1-one. With a topological polar surface area (TPSA) of 29.1 Ų, Spiro[2,4-dihydroisoquinoline-3,1'-cyclohexane]-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Spiro[2,4-dihydroisoquinoline-3,1'-cyclohexane]-1-one 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 Spiro[2,4-dihydroisoquinoline-3,1'-cyclohexane]-1-one?
The CAS number of Spiro[2,4-dihydroisoquinoline-3,1'-cyclohexane]-1-one is 120637-41-4.
What is the molecular formula of Spiro[2,4-dihydroisoquinoline-3,1'-cyclohexane]-1-one?
The molecular formula of Spiro[2,4-dihydroisoquinoline-3,1'-cyclohexane]-1-one is C14H17NO.
What is the molecular weight of Spiro[2,4-dihydroisoquinoline-3,1'-cyclohexane]-1-one?
The molecular weight of Spiro[2,4-dihydroisoquinoline-3,1'-cyclohexane]-1-one is 215.13 g/mol.
Where can I buy Spiro[2,4-dihydroisoquinoline-3,1'-cyclohexane]-1-one?
You can request a quote for Spiro[2,4-dihydroisoquinoline-3,1'-cyclohexane]-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Spiro[2,4-dihydroisoquinoline-3,1'-cyclohexane]-1-one?
Yes, KEHONG BIO provides custom synthesis services for Spiro[2,4-dihydroisoquinoline-3,1'-cyclohexane]-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.