Butyl 4-pyrrolidinylbenzoate
TL;DR: Butyl 4-pyrrolidinylbenzoate (CAS 200200-96-0) is a chemical compound with molecular formula C15H21NO2 and molecular weight 247.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 4-pyrrolidin-1-ylbenzoate
Also Known As: butyl 4-pyrrolidinylbenzoate, butyl 4-pyrrolidin-1-ylbenzoate, butyl 4-(pyrrolidin-1-yl)benzoate, 4-Pyrrolizinobenzoic acid butyl ester
| Molecular Formula | C15H21NO2 |
|---|---|
| Molecular Weight | 247.16 g/mol |
| LogP | 3.2437 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 247.15723 |
| Heavy Atoms | 18 |
| Complexity | 379.98502 |
Chemical Identifiers
| CAS Number | 200200-96-0 |
|---|---|
| SMILES | CCCCOC(=O)C1=CC=C(C=C1)N2CCCC2 |
Product Overview
Butyl 4-pyrrolidinylbenzoate (CAS 200200-96-0), with molecular formula C15H21NO2 and molecular weight 247.16 g/mol. IUPAC: butyl 4-pyrrolidin-1-ylbenzoate.
Chemical Property Profile of Butyl 4-pyrrolidinylbenzoate
Property Insights of Butyl 4-pyrrolidinylbenzoate
The XLogP value of 3.2437 indicates that Butyl 4-pyrrolidinylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.54 Ų, Butyl 4-pyrrolidinylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl 4-pyrrolidinylbenzoate 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 Butyl 4-pyrrolidinylbenzoate?
The CAS number of Butyl 4-pyrrolidinylbenzoate is 200200-96-0.
What is the molecular formula of Butyl 4-pyrrolidinylbenzoate?
The molecular formula of Butyl 4-pyrrolidinylbenzoate is C15H21NO2.
What is the molecular weight of Butyl 4-pyrrolidinylbenzoate?
The molecular weight of Butyl 4-pyrrolidinylbenzoate is 247.16 g/mol.
Where can I buy Butyl 4-pyrrolidinylbenzoate?
You can request a quote for Butyl 4-pyrrolidinylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl 4-pyrrolidinylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 4-pyrrolidinylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.