Benzyl 3-pyrrolidin-1-ylbut-2-enoate
TL;DR: Benzyl 3-pyrrolidin-1-ylbut-2-enoate (CAS 87599-71-1) is a chemical compound with molecular formula C15H19NO2 and molecular weight 245.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 3-pyrrolidin-1-ylbut-2-enoate
Also Known As: benzyl 3-(1-pyrrolidinyl)-2-butenoate, benzyl 3-pyrrolidin-1-ylbut-2-enoate, benzyl 3-(pyrrolidin-1-yl)but-2-enoate
| Molecular Formula | C15H19NO2 |
|---|---|
| Molecular Weight | 245.14 g/mol |
| LogP | 2.7294 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 245.14159 |
| Heavy Atoms | 18 |
| Complexity | 419.37955 |
Chemical Identifiers
| CAS Number | 87599-71-1 |
|---|---|
| SMILES | CC(=CC(=O)OCC1=CC=CC=C1)N2CCCC2 |
Product Overview
Benzyl 3-pyrrolidin-1-ylbut-2-enoate (CAS 87599-71-1), with molecular formula C15H19NO2 and molecular weight 245.14 g/mol. IUPAC: benzyl 3-pyrrolidin-1-ylbut-2-enoate.
Chemical Property Profile of Benzyl 3-pyrrolidin-1-ylbut-2-enoate
Property Insights of Benzyl 3-pyrrolidin-1-ylbut-2-enoate
The XLogP value of 2.7294 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl 3-pyrrolidin-1-ylbut-2-enoate. With a topological polar surface area (TPSA) of 29.54 Ų, Benzyl 3-pyrrolidin-1-ylbut-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl 3-pyrrolidin-1-ylbut-2-enoate 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 Benzyl 3-pyrrolidin-1-ylbut-2-enoate?
The CAS number of Benzyl 3-pyrrolidin-1-ylbut-2-enoate is 87599-71-1.
What is the molecular formula of Benzyl 3-pyrrolidin-1-ylbut-2-enoate?
The molecular formula of Benzyl 3-pyrrolidin-1-ylbut-2-enoate is C15H19NO2.
What is the molecular weight of Benzyl 3-pyrrolidin-1-ylbut-2-enoate?
The molecular weight of Benzyl 3-pyrrolidin-1-ylbut-2-enoate is 245.14 g/mol.
Where can I buy Benzyl 3-pyrrolidin-1-ylbut-2-enoate?
You can request a quote for Benzyl 3-pyrrolidin-1-ylbut-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl 3-pyrrolidin-1-ylbut-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl 3-pyrrolidin-1-ylbut-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.