2-Ethylhexyl pyroglutamate
TL;DR: 2-Ethylhexyl pyroglutamate (CAS 4261-80-7) 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.
2-ethylhexyl (2S)-5-oxopyrrolidine-2-carboxylate
Also Known As: 2-Ethylhexyl 5-oxo-L-prolinate, 2-ethylhexyl pyroglutamate, OCTYL PCA, 2-ethylhexyl5-oxo-L-prolinate, 5-Oxo-L-proline 2-ethylhexyl ester
| Molecular Formula | C13H23NO3 |
|---|---|
| Molecular Weight | 241.17 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 241.1678 |
| Heavy Atoms | 17 |
| Complexity | 265.0 |
Chemical Identifiers
| CAS Number | 4261-80-7 |
|---|---|
| SMILES | CCCCC(CC)COC(=O)[C@@H]1CCC(=O)N1 |
| InChIKey | YEMWTVRIHVDMPF-DTIOYNMSSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Ethylhexyl pyroglutamate (CAS 4261-80-7), with molecular formula C13H23NO3 and molecular weight 241.17 g/mol. IUPAC: 2-ethylhexyl (2S)-5-oxopyrrolidine-2-carboxylate.
Chemical Property Profile of 2-Ethylhexyl pyroglutamate
Property Insights of 2-Ethylhexyl pyroglutamate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Ethylhexyl pyroglutamate. With a topological polar surface area (TPSA) of 55.4 Ų, 2-Ethylhexyl pyroglutamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethylhexyl pyroglutamate 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 2-Ethylhexyl pyroglutamate?
The CAS number of 2-Ethylhexyl pyroglutamate is 4261-80-7.
What is the molecular formula of 2-Ethylhexyl pyroglutamate?
The molecular formula of 2-Ethylhexyl pyroglutamate is C13H23NO3.
What is the molecular weight of 2-Ethylhexyl pyroglutamate?
The molecular weight of 2-Ethylhexyl pyroglutamate is 241.17 g/mol.
Where can I buy 2-Ethylhexyl pyroglutamate?
You can request a quote for 2-Ethylhexyl pyroglutamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethylhexyl pyroglutamate?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethylhexyl pyroglutamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.