Spiro(isobenzofuran-1(3H),4'-piperidine), 3-phenyl-1'-(2-propynyl)-
TL;DR: Spiro(isobenzofuran-1(3H),4'-piperidine), 3-phenyl-1'-(2-propynyl)- (CAS 61298-57-5) is a chemical compound with molecular formula C21H21NO and molecular weight 303.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenyl-1'-prop-2-ynylspiro[1H-2-benzofuran-3,4'-piperidine]
Also Known As: 3-Phenyl-1'-(2-propynyl)spiro(isobenzofuran-1(3H),4'-piperidine), Spiro(isobenzofuran-1(3H),4'-piperidine), 3-phenyl-1'-(2-propynyl)-, 1,3-Dihydro-3-phenyl-1'-(2-propynyl)-spiro(isobenzofuran-1,4'-piperidine), 1-phenyl-1'-prop-2-ynylspiro[1H-2-benzofuran-3,4'-piperidine], 3-Phenyl-1'-(prop-2-yn-1-yl)-3H-spiro[[2]benzofuran-1,4'-piperidine]
| Molecular Formula | C21H21NO |
|---|---|
| Molecular Weight | 303.16 g/mol |
| LogP | 3.7305 |
| Topological Polar Surface Area | 12.47 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 303.16232 |
| Heavy Atoms | 23 |
| Complexity | 723.00684 |
Chemical Identifiers
| CAS Number | 61298-57-5 |
|---|---|
| SMILES | C#CCN1CCC2(CC1)C3=CC=CC=C3C(O2)C4=CC=CC=C4 |
Product Overview
Spiro(isobenzofuran-1(3H),4'-piperidine), 3-phenyl-1'-(2-propynyl)- (CAS 61298-57-5), with molecular formula C21H21NO and molecular weight 303.16 g/mol. IUPAC: 1-phenyl-1'-prop-2-ynylspiro[1H-2-benzofuran-3,4'-piperidine].
Chemical Property Profile of Spiro(isobenzofuran-1(3H),4'-piperidine), 3-phenyl-1'-(2-propynyl)-
Property Insights of Spiro(isobenzofuran-1(3H),4'-piperidine), 3-phenyl-1'-(2-propynyl)-
The XLogP value of 3.7305 indicates that Spiro(isobenzofuran-1(3H),4'-piperidine), 3-phenyl-1'-(2-propynyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.47 Ų, Spiro(isobenzofuran-1(3H),4'-piperidine), 3-phenyl-1'-(2-propynyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Spiro(isobenzofuran-1(3H),4'-piperidine), 3-phenyl-1'-(2-propynyl)- has 0 hydrogen bond donor(s) and 2 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(isobenzofuran-1(3H),4'-piperidine), 3-phenyl-1'-(2-propynyl)-?
The CAS number of Spiro(isobenzofuran-1(3H),4'-piperidine), 3-phenyl-1'-(2-propynyl)- is 61298-57-5.
What is the molecular formula of Spiro(isobenzofuran-1(3H),4'-piperidine), 3-phenyl-1'-(2-propynyl)-?
The molecular formula of Spiro(isobenzofuran-1(3H),4'-piperidine), 3-phenyl-1'-(2-propynyl)- is C21H21NO.
What is the molecular weight of Spiro(isobenzofuran-1(3H),4'-piperidine), 3-phenyl-1'-(2-propynyl)-?
The molecular weight of Spiro(isobenzofuran-1(3H),4'-piperidine), 3-phenyl-1'-(2-propynyl)- is 303.16 g/mol.
Where can I buy Spiro(isobenzofuran-1(3H),4'-piperidine), 3-phenyl-1'-(2-propynyl)-?
You can request a quote for Spiro(isobenzofuran-1(3H),4'-piperidine), 3-phenyl-1'-(2-propynyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Spiro(isobenzofuran-1(3H),4'-piperidine), 3-phenyl-1'-(2-propynyl)-?
Yes, KEHONG BIO provides custom synthesis services for Spiro(isobenzofuran-1(3H),4'-piperidine), 3-phenyl-1'-(2-propynyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.