2-(1,3-Benzodioxol-5-yl)-2-pyrrolidin-1-ylacetonitrile
TL;DR: 2-(1,3-Benzodioxol-5-yl)-2-pyrrolidin-1-ylacetonitrile (CAS 37673-03-3) is a chemical compound with molecular formula C13H14N2O2 and molecular weight 230.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ylacetonitrile
Also Known As: 2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ylacetonitrile, (2H-1,3-Benzodioxol-5-yl)(pyrrolidin-1-yl)acetonitrile, 1-PYRROLIDINEACETONITRILE,A-1,3-BENZODIOXOL-5-YL-
| Molecular Formula | C13H14N2O2 |
|---|---|
| Molecular Weight | 230.11 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 45.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 230.10553 |
| Heavy Atoms | 17 |
| Complexity | 319.0 |
Chemical Identifiers
| CAS Number | 37673-03-3 |
|---|---|
| SMILES | C1CCN(C1)C(C#N)C2=CC3=C(C=C2)OCO3 |
| InChIKey | AXNHBGUUQZQXLN-UHFFFAOYSA-N |
Product Overview
2-(1,3-Benzodioxol-5-yl)-2-pyrrolidin-1-ylacetonitrile (CAS 37673-03-3), with molecular formula C13H14N2O2 and molecular weight 230.11 g/mol. IUPAC: 2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ylacetonitrile.
Chemical Property Profile of 2-(1,3-Benzodioxol-5-yl)-2-pyrrolidin-1-ylacetonitrile
Property Insights of 2-(1,3-Benzodioxol-5-yl)-2-pyrrolidin-1-ylacetonitrile
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1,3-Benzodioxol-5-yl)-2-pyrrolidin-1-ylacetonitrile. With a topological polar surface area (TPSA) of 45.5 Ų, 2-(1,3-Benzodioxol-5-yl)-2-pyrrolidin-1-ylacetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1,3-Benzodioxol-5-yl)-2-pyrrolidin-1-ylacetonitrile has 0 hydrogen bond donor(s) and 4 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 2-(1,3-Benzodioxol-5-yl)-2-pyrrolidin-1-ylacetonitrile?
The CAS number of 2-(1,3-Benzodioxol-5-yl)-2-pyrrolidin-1-ylacetonitrile is 37673-03-3.
What is the molecular formula of 2-(1,3-Benzodioxol-5-yl)-2-pyrrolidin-1-ylacetonitrile?
The molecular formula of 2-(1,3-Benzodioxol-5-yl)-2-pyrrolidin-1-ylacetonitrile is C13H14N2O2.
What is the molecular weight of 2-(1,3-Benzodioxol-5-yl)-2-pyrrolidin-1-ylacetonitrile?
The molecular weight of 2-(1,3-Benzodioxol-5-yl)-2-pyrrolidin-1-ylacetonitrile is 230.11 g/mol.
Where can I buy 2-(1,3-Benzodioxol-5-yl)-2-pyrrolidin-1-ylacetonitrile?
You can request a quote for 2-(1,3-Benzodioxol-5-yl)-2-pyrrolidin-1-ylacetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-Benzodioxol-5-yl)-2-pyrrolidin-1-ylacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-Benzodioxol-5-yl)-2-pyrrolidin-1-ylacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.