5-Oxoprolinal
TL;DR: 5-Oxoprolinal (CAS 4602-08-8) is a chemical compound with molecular formula C1CC(=O)N[C@@H]1C=O and molecular weight 113.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-5-oxopyrrolidine-2-carbaldehyde
Also Known As: 5-Oxoprolinal, 5-Ketoprolinal, Pyroglutamic acid, 5-Oxoproline aldehyde, (2s)-5-oxopyrrolidine-2-carbaldehyde
| Molecular Formula | C1CC(=O)N[C@@H]1C=O |
|---|---|
| Molecular Weight | 113.05 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 46.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 113.047676 |
| Heavy Atoms | 8 |
| Complexity | 122.0 |
Chemical Identifiers
| CAS Number | 4602-08-8 |
|---|---|
| SMILES | C1CC(=O)N[C@@H]1C=O |
| InChIKey | XBGYMVTXOUKXLG-BYPYZUCNSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Oxoprolinal (CAS 4602-08-8), with molecular formula C1CC(=O)N[C@@H]1C=O and molecular weight 113.05 g/mol. IUPAC: (2S)-5-oxopyrrolidine-2-carbaldehyde.
Chemical Property Profile of 5-Oxoprolinal
Property Insights of 5-Oxoprolinal
The XLogP value of -0.8 indicates that 5-Oxoprolinal is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 46.2 Ų, 5-Oxoprolinal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Oxoprolinal has 1 hydrogen bond donor(s) and 2 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 5-Oxoprolinal?
The CAS number of 5-Oxoprolinal is 4602-08-8.
What is the molecular formula of 5-Oxoprolinal?
The molecular formula of 5-Oxoprolinal is C1CC(=O)N[C@@H]1C=O.
What is the molecular weight of 5-Oxoprolinal?
The molecular weight of 5-Oxoprolinal is 113.05 g/mol.
Where can I buy 5-Oxoprolinal?
You can request a quote for 5-Oxoprolinal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Oxoprolinal?
Yes, KEHONG BIO provides custom synthesis services for 5-Oxoprolinal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.