L-Proline, 1-(2-cyanoethyl)-5-oxo-
TL;DR: L-Proline, 1-(2-cyanoethyl)-5-oxo- (CAS 41563-94-4) is a chemical compound with molecular formula C8H10N2O3 and molecular weight 182.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-cyanoethyl)-5-oxopyrrolidine-2-carboxylic acid
Also Known As: Proline, L-, 1-(2-cyanoethyl)-5-oxoproline, 1-(2-Cyanoethyl)-5-oxo-L-proline, KST-1B4311, L-Proline, 1-(2-cyanoethyl)-5-oxo-
| Molecular Formula | C8H10N2O3 |
|---|---|
| Molecular Weight | 182.07 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 81.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 182.06914 |
| Heavy Atoms | 13 |
| Complexity | 278.0 |
Chemical Identifiers
| CAS Number | 41563-94-4 |
|---|---|
| SMILES | C1CC(=O)N(C1C(=O)O)CCC#N |
| InChIKey | MISMXAVSVZNOFP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
L-Proline, 1-(2-cyanoethyl)-5-oxo- (CAS 41563-94-4), with molecular formula C8H10N2O3 and molecular weight 182.07 g/mol. IUPAC: 1-(2-cyanoethyl)-5-oxopyrrolidine-2-carboxylic acid.
Chemical Property Profile of L-Proline, 1-(2-cyanoethyl)-5-oxo-
Property Insights of L-Proline, 1-(2-cyanoethyl)-5-oxo-
The XLogP value of -0.9 indicates that L-Proline, 1-(2-cyanoethyl)-5-oxo- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 81.4 Ų falls within the moderate polarity range, balancing permeability and solubility for L-Proline, 1-(2-cyanoethyl)-5-oxo-. Following Lipinski's Rule of Five, L-Proline, 1-(2-cyanoethyl)-5-oxo- has 1 hydrogen bond donor(s) and 4 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 L-Proline, 1-(2-cyanoethyl)-5-oxo-?
The CAS number of L-Proline, 1-(2-cyanoethyl)-5-oxo- is 41563-94-4.
What is the molecular formula of L-Proline, 1-(2-cyanoethyl)-5-oxo-?
The molecular formula of L-Proline, 1-(2-cyanoethyl)-5-oxo- is C8H10N2O3.
What is the molecular weight of L-Proline, 1-(2-cyanoethyl)-5-oxo-?
The molecular weight of L-Proline, 1-(2-cyanoethyl)-5-oxo- is 182.07 g/mol.
Where can I buy L-Proline, 1-(2-cyanoethyl)-5-oxo-?
You can request a quote for L-Proline, 1-(2-cyanoethyl)-5-oxo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for L-Proline, 1-(2-cyanoethyl)-5-oxo-?
Yes, KEHONG BIO provides custom synthesis services for L-Proline, 1-(2-cyanoethyl)-5-oxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.