Octyl 5-oxo-L-prolinate
TL;DR: Octyl 5-oxo-L-prolinate (CAS 4931-70-8) is a chemical compound with molecular formula C13H23NO3 and molecular weight 241.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
octyl (2S)-5-oxopyrrolidine-2-carboxylate
Also Known As: Octyl 5-oxo-L-prolinate, Octyl Pyroglutamate, n-Octyl L-pyroglutamate, octyl (2S)-5-oxopyrrolidine-2-carboxylate, Pyroglutamic acid octyl ester
| Molecular Formula | C13H23NO3 |
|---|---|
| Molecular Weight | 241.17 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 241.1678 |
| Heavy Atoms | 17 |
| Complexity | 253.0 |
Chemical Identifiers
| CAS Number | 4931-70-8 |
|---|---|
| SMILES | CCCCCCCCOC(=O)[C@@H]1CCC(=O)N1 |
| InChIKey | SXDPDVGGPOQXTM-NSHDSACASA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Octyl 5-oxo-L-prolinate (CAS 4931-70-8), with molecular formula C13H23NO3 and molecular weight 241.17 g/mol. IUPAC: octyl (2S)-5-oxopyrrolidine-2-carboxylate.
Chemical Property Profile of Octyl 5-oxo-L-prolinate
Property Insights of Octyl 5-oxo-L-prolinate
The XLogP value of 3.0 indicates that Octyl 5-oxo-L-prolinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, Octyl 5-oxo-L-prolinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octyl 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 Octyl 5-oxo-L-prolinate?
The CAS number of Octyl 5-oxo-L-prolinate is 4931-70-8.
What is the molecular formula of Octyl 5-oxo-L-prolinate?
The molecular formula of Octyl 5-oxo-L-prolinate is C13H23NO3.
What is the molecular weight of Octyl 5-oxo-L-prolinate?
The molecular weight of Octyl 5-oxo-L-prolinate is 241.17 g/mol.
Where can I buy Octyl 5-oxo-L-prolinate?
You can request a quote for Octyl 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 Octyl 5-oxo-L-prolinate?
Yes, KEHONG BIO provides custom synthesis services for Octyl 5-oxo-L-prolinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.