1-(Pyrrolidin-1-yl)propan-2-yl 3,5-di-tert-butylbenzoate
TL;DR: 1-(Pyrrolidin-1-yl)propan-2-yl 3,5-di-tert-butylbenzoate (CAS 693224-34-9) is a chemical compound with molecular formula C22H35NO2 and molecular weight 345.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-pyrrolidin-1-ylpropan-2-yl 3,5-ditert-butylbenzoate
Also Known As: ChemDiv3_005266, IDI1_023176, 1-(pyrrolidin-1-yl)propan-2-yl 3,5-di-tert-butylbenzoate, AO-365/41690581, AB01316950-02
| Molecular Formula | C22H35NO2 |
|---|---|
| Molecular Weight | 345.27 g/mol |
| LogP | 4.9227 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 345.26678 |
| Heavy Atoms | 25 |
| Complexity | 569.1837 |
Chemical Identifiers
| CAS Number | 693224-34-9 |
|---|---|
| SMILES | CC(CN1CCCC1)OC(=O)C2=CC(=CC(=C2)C(C)(C)C)C(C)(C)C |
Product Overview
1-(Pyrrolidin-1-yl)propan-2-yl 3,5-di-tert-butylbenzoate (CAS 693224-34-9), with molecular formula C22H35NO2 and molecular weight 345.27 g/mol. IUPAC: 1-pyrrolidin-1-ylpropan-2-yl 3,5-ditert-butylbenzoate.
Chemical Property Profile of 1-(Pyrrolidin-1-yl)propan-2-yl 3,5-di-tert-butylbenzoate
Property Insights of 1-(Pyrrolidin-1-yl)propan-2-yl 3,5-di-tert-butylbenzoate
The XLogP value of 4.9227 indicates that 1-(Pyrrolidin-1-yl)propan-2-yl 3,5-di-tert-butylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.54 Ų, 1-(Pyrrolidin-1-yl)propan-2-yl 3,5-di-tert-butylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Pyrrolidin-1-yl)propan-2-yl 3,5-di-tert-butylbenzoate 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 1-(Pyrrolidin-1-yl)propan-2-yl 3,5-di-tert-butylbenzoate?
The CAS number of 1-(Pyrrolidin-1-yl)propan-2-yl 3,5-di-tert-butylbenzoate is 693224-34-9.
What is the molecular formula of 1-(Pyrrolidin-1-yl)propan-2-yl 3,5-di-tert-butylbenzoate?
The molecular formula of 1-(Pyrrolidin-1-yl)propan-2-yl 3,5-di-tert-butylbenzoate is C22H35NO2.
What is the molecular weight of 1-(Pyrrolidin-1-yl)propan-2-yl 3,5-di-tert-butylbenzoate?
The molecular weight of 1-(Pyrrolidin-1-yl)propan-2-yl 3,5-di-tert-butylbenzoate is 345.27 g/mol.
Where can I buy 1-(Pyrrolidin-1-yl)propan-2-yl 3,5-di-tert-butylbenzoate?
You can request a quote for 1-(Pyrrolidin-1-yl)propan-2-yl 3,5-di-tert-butylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Pyrrolidin-1-yl)propan-2-yl 3,5-di-tert-butylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for 1-(Pyrrolidin-1-yl)propan-2-yl 3,5-di-tert-butylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.