3H-spiro(isobenzofuran-1,4'-piperidin)-3-one
TL;DR: 3H-spiro(isobenzofuran-1,4'-piperidin)-3-one (CAS 172733-79-8) is a chemical compound with molecular formula C12H13NO2 and molecular weight 203.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
spiro[2-benzofuran-3,4'-piperidine]-1-one
Also Known As: 3H-spiro[isobenzofuran-1,4'-piperidin]-3-one, SPIRO[ISOBENZOFURAN-1(3H),4'-PIPERIDIN]-3-ONE, spiro[2-benzofuran-3,4'-piperidine]-1-one, 3H-spiro[isobenzofuran-1,4-piperidin]-3-one, 3H-spiro[2-benzofuran-1,4'-piperidine]-3-one
| Molecular Formula | C12H13NO2 |
|---|---|
| Molecular Weight | 203.09 g/mol |
| LogP | 1.4357 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 203.09464 |
| Heavy Atoms | 15 |
| Complexity | 407.83807 |
Chemical Identifiers
| CAS Number | 172733-79-8 |
|---|---|
| SMILES | C1CNCCC12C3=CC=CC=C3C(=O)O2 |
Product Overview
3H-spiro(isobenzofuran-1,4'-piperidin)-3-one (CAS 172733-79-8), with molecular formula C12H13NO2 and molecular weight 203.09 g/mol. IUPAC: spiro[2-benzofuran-3,4'-piperidine]-1-one.
Chemical Property Profile of 3H-spiro(isobenzofuran-1,4'-piperidin)-3-one
Property Insights of 3H-spiro(isobenzofuran-1,4'-piperidin)-3-one
The XLogP value of 1.4357 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3H-spiro(isobenzofuran-1,4'-piperidin)-3-one. With a topological polar surface area (TPSA) of 38.33 Ų, 3H-spiro(isobenzofuran-1,4'-piperidin)-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3H-spiro(isobenzofuran-1,4'-piperidin)-3-one 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 3H-spiro(isobenzofuran-1,4'-piperidin)-3-one?
The CAS number of 3H-spiro(isobenzofuran-1,4'-piperidin)-3-one is 172733-79-8.
What is the molecular formula of 3H-spiro(isobenzofuran-1,4'-piperidin)-3-one?
The molecular formula of 3H-spiro(isobenzofuran-1,4'-piperidin)-3-one is C12H13NO2.
What is the molecular weight of 3H-spiro(isobenzofuran-1,4'-piperidin)-3-one?
The molecular weight of 3H-spiro(isobenzofuran-1,4'-piperidin)-3-one is 203.09 g/mol.
Where can I buy 3H-spiro(isobenzofuran-1,4'-piperidin)-3-one?
You can request a quote for 3H-spiro(isobenzofuran-1,4'-piperidin)-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3H-spiro(isobenzofuran-1,4'-piperidin)-3-one?
Yes, KEHONG BIO provides custom synthesis services for 3H-spiro(isobenzofuran-1,4'-piperidin)-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.