3-(1-piperidinyl)-2-benzofuran-1(3H)-one
TL;DR: 3-(1-piperidinyl)-2-benzofuran-1(3H)-one (CAS 84538-55-6) is a chemical compound with molecular formula C13H15NO2 and molecular weight 217.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-piperidin-1-yl-3H-2-benzofuran-1-one
Also Known As: 3-Piperidinophthalide, 3-Piperidinoisobenzofuran-1(3H)-one, 3-(1-piperidyl)-3H-isobenzofuran-1-one, 3-piperidin-1-yl-3H-2-benzofuran-1-one, 3-(1-piperidinyl)-2-benzofuran-1(3H)-one
| Molecular Formula | C13H15NO2 |
|---|---|
| Molecular Weight | 217.11 g/mol |
| LogP | 2.3415 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 217.11028 |
| Heavy Atoms | 16 |
| Complexity | 410.14856 |
Chemical Identifiers
| CAS Number | 84538-55-6 |
|---|---|
| SMILES | C1CCN(CC1)C2C3=CC=CC=C3C(=O)O2 |
Product Overview
3-(1-piperidinyl)-2-benzofuran-1(3H)-one (CAS 84538-55-6), with molecular formula C13H15NO2 and molecular weight 217.11 g/mol. IUPAC: 3-piperidin-1-yl-3H-2-benzofuran-1-one.
Chemical Property Profile of 3-(1-piperidinyl)-2-benzofuran-1(3H)-one
Property Insights of 3-(1-piperidinyl)-2-benzofuran-1(3H)-one
The XLogP value of 2.3415 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1-piperidinyl)-2-benzofuran-1(3H)-one. With a topological polar surface area (TPSA) of 29.54 Ų, 3-(1-piperidinyl)-2-benzofuran-1(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1-piperidinyl)-2-benzofuran-1(3H)-one has 0 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 3-(1-piperidinyl)-2-benzofuran-1(3H)-one?
The CAS number of 3-(1-piperidinyl)-2-benzofuran-1(3H)-one is 84538-55-6.
What is the molecular formula of 3-(1-piperidinyl)-2-benzofuran-1(3H)-one?
The molecular formula of 3-(1-piperidinyl)-2-benzofuran-1(3H)-one is C13H15NO2.
What is the molecular weight of 3-(1-piperidinyl)-2-benzofuran-1(3H)-one?
The molecular weight of 3-(1-piperidinyl)-2-benzofuran-1(3H)-one is 217.11 g/mol.
Where can I buy 3-(1-piperidinyl)-2-benzofuran-1(3H)-one?
You can request a quote for 3-(1-piperidinyl)-2-benzofuran-1(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1-piperidinyl)-2-benzofuran-1(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(1-piperidinyl)-2-benzofuran-1(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.