Isopropyl 5-oxo-DL-prolinate
TL;DR: Isopropyl 5-oxo-DL-prolinate (CAS 85136-11-4) is a chemical compound with molecular formula C8H13NO3 and molecular weight 171.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 5-oxopyrrolidine-2-carboxylate
Also Known As: isopropyl pyroglutamate, Isopropyl 5-oxo-DL-prolinate, propan-2-yl 5-oxoprolinate, isopropyl5-oxo-DL-prolinate, DL-Pyroglutamic acid isopropyl ester
| Molecular Formula | C8H13NO3 |
|---|---|
| Molecular Weight | 171.09 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 171.08954 |
| Heavy Atoms | 12 |
| Complexity | 200.0 |
Chemical Identifiers
| CAS Number | 85136-11-4 |
|---|---|
| SMILES | CC(C)OC(=O)C1CCC(=O)N1 |
| InChIKey | IZHXNBPKBCUDOZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isopropyl 5-oxo-DL-prolinate (CAS 85136-11-4), with molecular formula C8H13NO3 and molecular weight 171.09 g/mol. IUPAC: propan-2-yl 5-oxopyrrolidine-2-carboxylate.
Chemical Property Profile of Isopropyl 5-oxo-DL-prolinate
Property Insights of Isopropyl 5-oxo-DL-prolinate
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isopropyl 5-oxo-DL-prolinate. With a topological polar surface area (TPSA) of 55.4 Ų, Isopropyl 5-oxo-DL-prolinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopropyl 5-oxo-DL-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 Isopropyl 5-oxo-DL-prolinate?
The CAS number of Isopropyl 5-oxo-DL-prolinate is 85136-11-4.
What is the molecular formula of Isopropyl 5-oxo-DL-prolinate?
The molecular formula of Isopropyl 5-oxo-DL-prolinate is C8H13NO3.
What is the molecular weight of Isopropyl 5-oxo-DL-prolinate?
The molecular weight of Isopropyl 5-oxo-DL-prolinate is 171.09 g/mol.
Where can I buy Isopropyl 5-oxo-DL-prolinate?
You can request a quote for Isopropyl 5-oxo-DL-prolinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopropyl 5-oxo-DL-prolinate?
Yes, KEHONG BIO provides custom synthesis services for Isopropyl 5-oxo-DL-prolinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.