Spiro(isobenzofuran-1(3H),2'-pyrrolidin)-3-one, 1'-methyl-
TL;DR: Spiro(isobenzofuran-1(3H),2'-pyrrolidin)-3-one, 1'-methyl- (CAS 7049-11-8) 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.
1'-methylspiro[2-benzofuran-3,2'-pyrrolidine]-1-one
Also Known As: Shihunine, Shihunin, 1'-methyl-3h-spiro[2-benzofuran-1,2'-pyrrolidin]-3-one, 1'-methylspiro[2-benzofuran-3,2'-pyrrolidine]-1-one, 1'-methylspiro(2-benzofuran-3,2'-pyrrolidine)-1-one
| Molecular Formula | C12H13NO2 |
|---|---|
| Molecular Weight | 203.09 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 203.09464 |
| Heavy Atoms | 15 |
| Complexity | 291.0 |
Chemical Identifiers
| CAS Number | 7049-11-8 |
|---|---|
| SMILES | CN1CCCC12C3=CC=CC=C3C(=O)O2 |
| InChIKey | YWAAZZCPWLHJAN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Spiro(isobenzofuran-1(3H),2'-pyrrolidin)-3-one, 1'-methyl- (CAS 7049-11-8), with molecular formula C12H13NO2 and molecular weight 203.09 g/mol. IUPAC: 1'-methylspiro[2-benzofuran-3,2'-pyrrolidine]-1-one.
Chemical Property Profile of Spiro(isobenzofuran-1(3H),2'-pyrrolidin)-3-one, 1'-methyl-
Property Insights of Spiro(isobenzofuran-1(3H),2'-pyrrolidin)-3-one, 1'-methyl-
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Spiro(isobenzofuran-1(3H),2'-pyrrolidin)-3-one, 1'-methyl-. With a topological polar surface area (TPSA) of 29.5 Ų, Spiro(isobenzofuran-1(3H),2'-pyrrolidin)-3-one, 1'-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Spiro(isobenzofuran-1(3H),2'-pyrrolidin)-3-one, 1'-methyl- 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 Spiro(isobenzofuran-1(3H),2'-pyrrolidin)-3-one, 1'-methyl-?
The CAS number of Spiro(isobenzofuran-1(3H),2'-pyrrolidin)-3-one, 1'-methyl- is 7049-11-8.
What is the molecular formula of Spiro(isobenzofuran-1(3H),2'-pyrrolidin)-3-one, 1'-methyl-?
The molecular formula of Spiro(isobenzofuran-1(3H),2'-pyrrolidin)-3-one, 1'-methyl- is C12H13NO2.
What is the molecular weight of Spiro(isobenzofuran-1(3H),2'-pyrrolidin)-3-one, 1'-methyl-?
The molecular weight of Spiro(isobenzofuran-1(3H),2'-pyrrolidin)-3-one, 1'-methyl- is 203.09 g/mol.
Where can I buy Spiro(isobenzofuran-1(3H),2'-pyrrolidin)-3-one, 1'-methyl-?
You can request a quote for Spiro(isobenzofuran-1(3H),2'-pyrrolidin)-3-one, 1'-methyl- 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),2'-pyrrolidin)-3-one, 1'-methyl-?
Yes, KEHONG BIO provides custom synthesis services for Spiro(isobenzofuran-1(3H),2'-pyrrolidin)-3-one, 1'-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.