Pyrrolidine, 1-(1,3-benzodioxol-5-ylcarbonyl)-
TL;DR: Pyrrolidine, 1-(1,3-benzodioxol-5-ylcarbonyl)- (CAS 64654-10-0) is a chemical compound with molecular formula C12H13NO3 and molecular weight 219.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-benzodioxol-5-yl(pyrrolidin-1-yl)methanone
Also Known As: 1-piperonyloylpyrrolidine, Pyrrolidine, 1-(1,3-benzodioxol-5-ylcarbonyl)-, TimTec1_006662, 1,3-benzodioxol-5-yl(pyrrolidin-1-yl)methanone, N-(3,4-Methylenedioxybenzoyl)pyrrolidine
| Molecular Formula | C12H13NO3 |
|---|---|
| Molecular Weight | 219.09 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 219.08954 |
| Heavy Atoms | 16 |
| Complexity | 275.0 |
Chemical Identifiers
| CAS Number | 64654-10-0 |
|---|---|
| SMILES | C1CCN(C1)C(=O)C2=CC3=C(C=C2)OCO3 |
| InChIKey | OHNMXDCVKSTQQF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pyrrolidine, 1-(1,3-benzodioxol-5-ylcarbonyl)- (CAS 64654-10-0), with molecular formula C12H13NO3 and molecular weight 219.09 g/mol. IUPAC: 1,3-benzodioxol-5-yl(pyrrolidin-1-yl)methanone.
Chemical Property Profile of Pyrrolidine, 1-(1,3-benzodioxol-5-ylcarbonyl)-
Property Insights of Pyrrolidine, 1-(1,3-benzodioxol-5-ylcarbonyl)-
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrrolidine, 1-(1,3-benzodioxol-5-ylcarbonyl)-. With a topological polar surface area (TPSA) of 38.8 Ų, Pyrrolidine, 1-(1,3-benzodioxol-5-ylcarbonyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrrolidine, 1-(1,3-benzodioxol-5-ylcarbonyl)- 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 Pyrrolidine, 1-(1,3-benzodioxol-5-ylcarbonyl)-?
The CAS number of Pyrrolidine, 1-(1,3-benzodioxol-5-ylcarbonyl)- is 64654-10-0.
What is the molecular formula of Pyrrolidine, 1-(1,3-benzodioxol-5-ylcarbonyl)-?
The molecular formula of Pyrrolidine, 1-(1,3-benzodioxol-5-ylcarbonyl)- is C12H13NO3.
What is the molecular weight of Pyrrolidine, 1-(1,3-benzodioxol-5-ylcarbonyl)-?
The molecular weight of Pyrrolidine, 1-(1,3-benzodioxol-5-ylcarbonyl)- is 219.09 g/mol.
Where can I buy Pyrrolidine, 1-(1,3-benzodioxol-5-ylcarbonyl)-?
You can request a quote for Pyrrolidine, 1-(1,3-benzodioxol-5-ylcarbonyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrrolidine, 1-(1,3-benzodioxol-5-ylcarbonyl)-?
Yes, KEHONG BIO provides custom synthesis services for Pyrrolidine, 1-(1,3-benzodioxol-5-ylcarbonyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.