sec-Octyl 5-oxo-L-prolinate
TL;DR: sec-Octyl 5-oxo-L-prolinate (CAS 54471-44-2) 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.
octan-2-yl (2S)-5-oxopyrrolidine-2-carboxylate
Also Known As: sec-Octyl 5-oxo-L-prolinate, EINECS 259-176-4, L-Proline, 5-oxo-,sec-octyl ester (9CI), octan-2-yl (2S)-5-oxopyrrolidine-2-carboxylate, Octan-2-yl 5-hydroxy-3,4-dihydro-2H-pyrrole-2-carboxylate
| Molecular Formula | C13H23NO3 |
|---|---|
| Molecular Weight | 241.17 g/mol |
| LogP | 2.1671 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 241.1678 |
| Heavy Atoms | 17 |
| Complexity | 265.3902 |
Chemical Identifiers
| CAS Number | 54471-44-2 |
|---|---|
| SMILES | CCCCCCC(C)OC(=O)[C@@H]1CCC(=O)N1 |
Product Overview
sec-Octyl 5-oxo-L-prolinate (CAS 54471-44-2), with molecular formula C13H23NO3 and molecular weight 241.17 g/mol. IUPAC: octan-2-yl (2S)-5-oxopyrrolidine-2-carboxylate.
Chemical Property Profile of sec-Octyl 5-oxo-L-prolinate
Property Insights of sec-Octyl 5-oxo-L-prolinate
The XLogP value of 2.1671 suggests moderate lipophilicity, balancing water solubility and membrane permeability for sec-Octyl 5-oxo-L-prolinate. With a topological polar surface area (TPSA) of 55.4 Ų, sec-Octyl 5-oxo-L-prolinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, sec-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 sec-Octyl 5-oxo-L-prolinate?
The CAS number of sec-Octyl 5-oxo-L-prolinate is 54471-44-2.
What is the molecular formula of sec-Octyl 5-oxo-L-prolinate?
The molecular formula of sec-Octyl 5-oxo-L-prolinate is C13H23NO3.
What is the molecular weight of sec-Octyl 5-oxo-L-prolinate?
The molecular weight of sec-Octyl 5-oxo-L-prolinate is 241.17 g/mol.
Where can I buy sec-Octyl 5-oxo-L-prolinate?
You can request a quote for sec-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 sec-Octyl 5-oxo-L-prolinate?
Yes, KEHONG BIO provides custom synthesis services for sec-Octyl 5-oxo-L-prolinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.