Butyl 5-oxo-L-prolinate
TL;DR: Butyl 5-oxo-L-prolinate (CAS 4931-68-4) is a chemical compound with molecular formula C9H15NO3 and molecular weight 185.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl (2S)-5-oxopyrrolidine-2-carboxylate
Also Known As: Butyl 5-oxo-L-prolinate, Butyl L-pyroglutamate, Butyl Pyroglutamate, butyl 5-oxoprolinate, n-butyl pyroglutamate
| Molecular Formula | C9H15NO3 |
|---|---|
| Molecular Weight | 185.11 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 185.1052 |
| Heavy Atoms | 13 |
| Complexity | 203.0 |
Chemical Identifiers
| CAS Number | 4931-68-4 |
|---|---|
| SMILES | CCCCOC(=O)[C@@H]1CCC(=O)N1 |
| InChIKey | QBBAJUQOYIURHA-ZETCQYMHSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butyl 5-oxo-L-prolinate (CAS 4931-68-4), with molecular formula C9H15NO3 and molecular weight 185.11 g/mol. IUPAC: butyl (2S)-5-oxopyrrolidine-2-carboxylate.
Chemical Property Profile of Butyl 5-oxo-L-prolinate
Property Insights of Butyl 5-oxo-L-prolinate
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyl 5-oxo-L-prolinate. With a topological polar surface area (TPSA) of 55.4 Ų, Butyl 5-oxo-L-prolinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl 5-oxo-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 Butyl 5-oxo-L-prolinate?
The CAS number of Butyl 5-oxo-L-prolinate is 4931-68-4.
What is the molecular formula of Butyl 5-oxo-L-prolinate?
The molecular formula of Butyl 5-oxo-L-prolinate is C9H15NO3.
What is the molecular weight of Butyl 5-oxo-L-prolinate?
The molecular weight of Butyl 5-oxo-L-prolinate is 185.11 g/mol.
Where can I buy Butyl 5-oxo-L-prolinate?
You can request a quote for Butyl 5-oxo-L-prolinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl 5-oxo-L-prolinate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 5-oxo-L-prolinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.