2-(1,3-Dioxaindan-5-yl)pyrrolidine
TL;DR: 2-(1,3-Dioxaindan-5-yl)pyrrolidine (CAS 95849-38-0) is a chemical compound with molecular formula C11H13NO2 and molecular weight 191.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzodioxol-5-yl)pyrrolidine
Also Known As: 2-(2H-1,3-benzodioxol-5-yl)pyrrolidine, Homochlorcyclizine, 2-(1,3-benzodioxol-5-yl)pyrrolidine, 2-Benzo[1,3]dioxol-5-yl-pyrrolidine, 2-(Benzo[d][1,3]dioxol-5-yl)pyrrolidine
| Molecular Formula | C11H13NO2 |
|---|---|
| Molecular Weight | 191.09 g/mol |
| LogP | 1.8398 |
| Topological Polar Surface Area | 30.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 191.09464 |
| Heavy Atoms | 14 |
| Complexity | 345.1408 |
Chemical Identifiers
| CAS Number | 95849-38-0 |
|---|---|
| SMILES | C1CC(NC1)C2=CC3=C(C=C2)OCO3 |
Product Overview
2-(1,3-Dioxaindan-5-yl)pyrrolidine (CAS 95849-38-0), with molecular formula C11H13NO2 and molecular weight 191.09 g/mol. IUPAC: 2-(1,3-benzodioxol-5-yl)pyrrolidine.
Chemical Property Profile of 2-(1,3-Dioxaindan-5-yl)pyrrolidine
Property Insights of 2-(1,3-Dioxaindan-5-yl)pyrrolidine
The XLogP value of 1.8398 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1,3-Dioxaindan-5-yl)pyrrolidine. With a topological polar surface area (TPSA) of 30.49 Ų, 2-(1,3-Dioxaindan-5-yl)pyrrolidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1,3-Dioxaindan-5-yl)pyrrolidine has 1 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 2-(1,3-Dioxaindan-5-yl)pyrrolidine?
The CAS number of 2-(1,3-Dioxaindan-5-yl)pyrrolidine is 95849-38-0.
What is the molecular formula of 2-(1,3-Dioxaindan-5-yl)pyrrolidine?
The molecular formula of 2-(1,3-Dioxaindan-5-yl)pyrrolidine is C11H13NO2.
What is the molecular weight of 2-(1,3-Dioxaindan-5-yl)pyrrolidine?
The molecular weight of 2-(1,3-Dioxaindan-5-yl)pyrrolidine is 191.09 g/mol.
Where can I buy 2-(1,3-Dioxaindan-5-yl)pyrrolidine?
You can request a quote for 2-(1,3-Dioxaindan-5-yl)pyrrolidine 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-Dioxaindan-5-yl)pyrrolidine?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-Dioxaindan-5-yl)pyrrolidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.