脯氨酸苄酯
TL;DR: 脯氨酸苄酯 (CAS 80089-25-4) 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.
脯氨酸苄酯
benzyl pyrrolidine-2-carboxylate
Also Known As: Benzyl L-prolinate, benzyl pyrrolidine-2-carboxylate, Proline benzyl ester, benzyl prolinate, benzyl DL prolinate
| 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 | 80089-25-4 |
|---|---|
| SMILES | C1CC(NC1)C(=O)OCC2=CC=CC=C2 |
| InChIKey | VVCLBQFBKZQOAF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
脯氨酸苄酯 (CAS 80089-25-4), with molecular formula C12H15NO2 and molecular weight 205.11 g/mol. IUPAC: benzyl pyrrolidine-2-carboxylate.
Chemical Property Profile of 脯氨酸苄酯
Property Insights of 脯氨酸苄酯
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 脯氨酸苄酯. With a topological polar surface area (TPSA) of 38.3 Ų, 脯氨酸苄酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 脯氨酸苄酯 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 脯氨酸苄酯?
The CAS number of 脯氨酸苄酯 is 80089-25-4.
What is the molecular formula of 脯氨酸苄酯?
The molecular formula of 脯氨酸苄酯 is C12H15NO2.
What is the molecular weight of 脯氨酸苄酯?
The molecular weight of 脯氨酸苄酯 is 205.11 g/mol.
Where can I buy 脯氨酸苄酯?
You can request a quote for 脯氨酸苄酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 脯氨酸苄酯?
Yes, KEHONG BIO provides custom synthesis services for 脯氨酸苄酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.