Benzyl L-prolinate
TL;DR: Benzyl L-prolinate (CAS 41781-86-6) is a chemical compound with molecular formula C12H15NO2 and molecular weight 205.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl (2S)-pyrrolidine-2-carboxylate
Also Known As: Benzyl L-prolinate, Proline benzyl ester, h-pro-obzl, BenzylL-prolinate, L-Proline benzyl
| Molecular Formula | C12H15NO2 |
|---|---|
| Molecular Weight | 205.11 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 205.11028 |
| Heavy Atoms | 15 |
| Complexity | 212.0 |
Chemical Identifiers
| CAS Number | 41781-86-6 |
|---|---|
| SMILES | C1C[C@H](NC1)C(=O)OCC2=CC=CC=C2 |
| InChIKey | VVCLBQFBKZQOAF-NSHDSACASA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzyl L-prolinate (CAS 41781-86-6), with molecular formula C12H15NO2 and molecular weight 205.11 g/mol. IUPAC: benzyl (2S)-pyrrolidine-2-carboxylate.
Chemical Property Profile of Benzyl L-prolinate
Property Insights of Benzyl L-prolinate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl L-prolinate. With a topological polar surface area (TPSA) of 38.3 Ų, Benzyl L-prolinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl L-prolinate 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 Benzyl L-prolinate?
The CAS number of Benzyl L-prolinate is 41781-86-6.
What is the molecular formula of Benzyl L-prolinate?
The molecular formula of Benzyl L-prolinate is C12H15NO2.
What is the molecular weight of Benzyl L-prolinate?
The molecular weight of Benzyl L-prolinate is 205.11 g/mol.
Where can I buy Benzyl L-prolinate?
You can request a quote for Benzyl L-prolinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl L-prolinate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl L-prolinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.