1-(1,3-benzodioxol-5-yl)-N-pyrrolidin-1-ylmethanimine
TL;DR: 1-(1,3-benzodioxol-5-yl)-N-pyrrolidin-1-ylmethanimine (CAS 359763-50-1) is a chemical compound with molecular formula C12H14N2O2 and molecular weight 218.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-benzodioxol-5-yl)-N-pyrrolidin-1-ylmethanimine
Also Known As: N-(1,3-benzodioxol-5-ylmethylene)-pyrrolidin-1-amine
| Molecular Formula | C12H14N2O2 |
|---|---|
| Molecular Weight | 218.11 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 218.10553 |
| Heavy Atoms | 16 |
| Complexity | 264.0 |
Chemical Identifiers
| CAS Number | 359763-50-1 |
|---|---|
| SMILES | C1CCN(C1)N=CC2=CC3=C(C=C2)OCO3 |
| InChIKey | GARTUTMCFDUOJH-UHFFFAOYSA-N |
Product Overview
1-(1,3-benzodioxol-5-yl)-N-pyrrolidin-1-ylmethanimine (CAS 359763-50-1), with molecular formula C12H14N2O2 and molecular weight 218.11 g/mol. IUPAC: 1-(1,3-benzodioxol-5-yl)-N-pyrrolidin-1-ylmethanimine.
Chemical Property Profile of 1-(1,3-benzodioxol-5-yl)-N-pyrrolidin-1-ylmethanimine
Property Insights of 1-(1,3-benzodioxol-5-yl)-N-pyrrolidin-1-ylmethanimine
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1,3-benzodioxol-5-yl)-N-pyrrolidin-1-ylmethanimine. With a topological polar surface area (TPSA) of 34.1 Ų, 1-(1,3-benzodioxol-5-yl)-N-pyrrolidin-1-ylmethanimine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1,3-benzodioxol-5-yl)-N-pyrrolidin-1-ylmethanimine 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 1-(1,3-benzodioxol-5-yl)-N-pyrrolidin-1-ylmethanimine?
The CAS number of 1-(1,3-benzodioxol-5-yl)-N-pyrrolidin-1-ylmethanimine is 359763-50-1.
What is the molecular formula of 1-(1,3-benzodioxol-5-yl)-N-pyrrolidin-1-ylmethanimine?
The molecular formula of 1-(1,3-benzodioxol-5-yl)-N-pyrrolidin-1-ylmethanimine is C12H14N2O2.
What is the molecular weight of 1-(1,3-benzodioxol-5-yl)-N-pyrrolidin-1-ylmethanimine?
The molecular weight of 1-(1,3-benzodioxol-5-yl)-N-pyrrolidin-1-ylmethanimine is 218.11 g/mol.
Where can I buy 1-(1,3-benzodioxol-5-yl)-N-pyrrolidin-1-ylmethanimine?
You can request a quote for 1-(1,3-benzodioxol-5-yl)-N-pyrrolidin-1-ylmethanimine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1,3-benzodioxol-5-yl)-N-pyrrolidin-1-ylmethanimine?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,3-benzodioxol-5-yl)-N-pyrrolidin-1-ylmethanimine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.