![1''-butyl-3H-spiro[2-benzofuran-1,4''-piperidine] structure](/static/products/147/147816-98-6.webp)
1''-butyl-3H-spiro[2-benzofuran-1,4''-piperidine]
TL;DR: 1''-butyl-3H-spiro[2-benzofuran-1,4''-piperidine] (CAS 147816-98-6) is a chemical compound with molecular formula C16H23NO and molecular weight 245.17796 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1'-butylspiro[1H-2-benzofuran-3,4'-piperidine]
Also Known As: 1'-(1-butyl)spiro[isobenzofuran-1(3H),4'-piperidine], 1'-butylspiro[1H-isobenzofuran-3,4'-piperidine], 1'-butyl-3H-spiro[2-benzofuran-1,4'-piperidine], 1''-butyl-3H-spiro[2-benzofuran-1,4''-piperidine], 1-Butylspiro[piperidine-4,1 (3 H)-isobenzofuran]
Technical Specifications
| Molecular Formula | C16H23NO |
| Molecular Weight | 245.17796 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 12.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 245.17796 Da |
| Heavy Atoms | 18 |
| Complexity | 270.0 |
| SMILES | CCCCN1CCC2(CC1)C3=CC=CC=C3CO2 |
| InChIKey | AOBSGGAAELZZHI-UHFFFAOYSA-N |
Chemical Property Profile of 1''-butyl-3H-spiro[2-benzofuran-1,4''-piperidine]
Property Insights of 1''-butyl-3H-spiro[2-benzofuran-1,4''-piperidine]
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1''-butyl-3H-spiro[2-benzofuran-1,4''-piperidine]. With a topological polar surface area (TPSA) of 12.5 Ų, 1''-butyl-3H-spiro[2-benzofuran-1,4''-piperidine] exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1''-butyl-3H-spiro[2-benzofuran-1,4''-piperidine] 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
What is the CAS number of 1''-butyl-3H-spiro[2-benzofuran-1,4''-piperidine]?
The CAS number of 1''-butyl-3H-spiro[2-benzofuran-1,4''-piperidine] is 147816-98-6.
What is the molecular formula of 1''-butyl-3H-spiro[2-benzofuran-1,4''-piperidine]?
The molecular formula of 1''-butyl-3H-spiro[2-benzofuran-1,4''-piperidine] is C16H23NO.
What is the molecular weight of 1''-butyl-3H-spiro[2-benzofuran-1,4''-piperidine]?
The molecular weight of 1''-butyl-3H-spiro[2-benzofuran-1,4''-piperidine] is 245.17796 g/mol.
Where can I buy 1''-butyl-3H-spiro[2-benzofuran-1,4''-piperidine]?
You can request a quote for 1''-butyl-3H-spiro[2-benzofuran-1,4''-piperidine] directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1''-butyl-3H-spiro[2-benzofuran-1,4''-piperidine]?
Yes, CoreyChem provides custom synthesis services for 1''-butyl-3H-spiro[2-benzofuran-1,4''-piperidine] and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.