2,2,2-Trichloroethyl 5-oxo-L-prolinate
TL;DR: 2,2,2-Trichloroethyl 5-oxo-L-prolinate (CAS 54778-36-8) is a chemical compound with molecular formula C7H8Cl3NO3 and molecular weight 258.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-trichloroethyl (2S)-5-oxopyrrolidine-2-carboxylate
Also Known As: 2,2,2-Trichloroethyl 5-oxo-L-prolinate, EINECS 259-342-6, 5-Oxo-L-proline 2,2,2-trichloroethyl ester, 2,2,2-trichloroethyl (2S)-5-oxopyrrolidine-2-carboxylate, L-Proline, 5-oxo-,2,2,2-trichloroethyl ester (9CI)
| Molecular Formula | C7H8Cl3NO3 |
|---|---|
| Molecular Weight | 258.96 g/mol |
| LogP | 1.1784 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 258.95697 |
| Heavy Atoms | 14 |
| Complexity | 251.0548 |
Chemical Identifiers
| CAS Number | 54778-36-8 |
|---|---|
| SMILES | C1CC(=O)N[C@@H]1C(=O)OCC(Cl)(Cl)Cl |
Product Overview
2,2,2-Trichloroethyl 5-oxo-L-prolinate (CAS 54778-36-8), with molecular formula C7H8Cl3NO3 and molecular weight 258.96 g/mol. IUPAC: 2,2,2-trichloroethyl (2S)-5-oxopyrrolidine-2-carboxylate.
Chemical Property Profile of 2,2,2-Trichloroethyl 5-oxo-L-prolinate
Property Insights of 2,2,2-Trichloroethyl 5-oxo-L-prolinate
The XLogP value of 1.1784 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2,2-Trichloroethyl 5-oxo-L-prolinate. With a topological polar surface area (TPSA) of 55.4 Ų, 2,2,2-Trichloroethyl 5-oxo-L-prolinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,2-Trichloroethyl 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 2,2,2-Trichloroethyl 5-oxo-L-prolinate?
The CAS number of 2,2,2-Trichloroethyl 5-oxo-L-prolinate is 54778-36-8.
What is the molecular formula of 2,2,2-Trichloroethyl 5-oxo-L-prolinate?
The molecular formula of 2,2,2-Trichloroethyl 5-oxo-L-prolinate is C7H8Cl3NO3.
What is the molecular weight of 2,2,2-Trichloroethyl 5-oxo-L-prolinate?
The molecular weight of 2,2,2-Trichloroethyl 5-oxo-L-prolinate is 258.96 g/mol.
Where can I buy 2,2,2-Trichloroethyl 5-oxo-L-prolinate?
You can request a quote for 2,2,2-Trichloroethyl 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 2,2,2-Trichloroethyl 5-oxo-L-prolinate?
Yes, KEHONG BIO provides custom synthesis services for 2,2,2-Trichloroethyl 5-oxo-L-prolinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.