3-(1-Pyrrolidyl)-1(3H)-isobenzofuranone
TL;DR: 3-(1-Pyrrolidyl)-1(3H)-isobenzofuranone (CAS 84538-54-5) 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.
3-pyrrolidin-1-yl-3H-2-benzofuran-1-one
Also Known As: ChemDiv2_004380, 3-(1-Pyrrolidyl)-1(3H)-isobenzofuranone, 3-Pyrrolizinoisobenzofuran-1(3H)-one, IDI1_003095, 3-(pyrrolidin-1-yl)-2-benzofuran-1(3H)-one
| Molecular Formula | C12H13NO2 |
|---|---|
| Molecular Weight | 203.09 g/mol |
| LogP | 1.9514 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 203.09464 |
| Heavy Atoms | 15 |
| Complexity | 396.36353 |
Chemical Identifiers
| CAS Number | 84538-54-5 |
|---|---|
| SMILES | C1CCN(C1)C2C3=CC=CC=C3C(=O)O2 |
Product Overview
3-(1-Pyrrolidyl)-1(3H)-isobenzofuranone (CAS 84538-54-5), with molecular formula C12H13NO2 and molecular weight 203.09 g/mol. IUPAC: 3-pyrrolidin-1-yl-3H-2-benzofuran-1-one.
Chemical Property Profile of 3-(1-Pyrrolidyl)-1(3H)-isobenzofuranone
Property Insights of 3-(1-Pyrrolidyl)-1(3H)-isobenzofuranone
The XLogP value of 1.9514 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1-Pyrrolidyl)-1(3H)-isobenzofuranone. With a topological polar surface area (TPSA) of 29.54 Ų, 3-(1-Pyrrolidyl)-1(3H)-isobenzofuranone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1-Pyrrolidyl)-1(3H)-isobenzofuranone 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-Pyrrolidyl)-1(3H)-isobenzofuranone?
The CAS number of 3-(1-Pyrrolidyl)-1(3H)-isobenzofuranone is 84538-54-5.
What is the molecular formula of 3-(1-Pyrrolidyl)-1(3H)-isobenzofuranone?
The molecular formula of 3-(1-Pyrrolidyl)-1(3H)-isobenzofuranone is C12H13NO2.
What is the molecular weight of 3-(1-Pyrrolidyl)-1(3H)-isobenzofuranone?
The molecular weight of 3-(1-Pyrrolidyl)-1(3H)-isobenzofuranone is 203.09 g/mol.
Where can I buy 3-(1-Pyrrolidyl)-1(3H)-isobenzofuranone?
You can request a quote for 3-(1-Pyrrolidyl)-1(3H)-isobenzofuranone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1-Pyrrolidyl)-1(3H)-isobenzofuranone?
Yes, KEHONG BIO provides custom synthesis services for 3-(1-Pyrrolidyl)-1(3H)-isobenzofuranone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.