L-Prolinamide, N-((tetrahydro-5-oxo-2-furanyl)carbonyl)-L-histidyl-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)
TL;DR: L-Prolinamide, N-((tetrahydro-5-oxo-2-furanyl)carbonyl)-L-histidyl-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1) (CAS 96861-08-4) is a chemical compound with molecular formula C22H29N5O12 and molecular weight 555.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxypropane-1,2,3-tricarboxylic acid;(2S)-1-[(2S)-3-(1H-imidazol-5-yl)-2-[(5-oxooxolane-2-carbonyl)amino]propanoyl]pyrrolidine-2-carboxamide
Also Known As: L-Prolinamide, N-((tetrahydro-5-oxo-2-furanyl)carbonyl)-L-histidyl-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1), 2-Hydroxypropane-1,2,3-tricarboxylic acid;(2S)-1-[(2S)-3-(1H-imidazol-5-yl)-2-[(5-oxooxolane-2-carbonyl)amino]propanoyl]pyrrolidine-2-carboxamide, gamma-Butyrolactone-gamma-carbonyl-histidyl-prolinamide citrate, (2S)-1-((5-oxotetrahydrofuran-2-carbonyl)-L-histidyl)pyrrolidine-2-carboxamide 2-hydroxypropane-1,2,3-tricarboxylate, GAMMA-BUTYROLACTONE-GAMMA-CARBONYL-L-HISTIDYL-L-PROLINAMIDE CITRATE
| Molecular Formula | C22H29N5O12 |
|---|---|
| Molecular Weight | 555.18 g/mol |
| LogP | -2.6296 |
| Topological Polar Surface Area | 280.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 11 |
| Exact Mass | 555.1813 |
| Heavy Atoms | 39 |
| Complexity | 825.0 |
Chemical Identifiers
| CAS Number | 96861-08-4 |
|---|---|
| SMILES | C1C[C@H](N(C1)C(=O)[C@H](CC2=CN=CN2)NC(=O)C3CCC(=O)O3)C(=O)N.C(C(=O)O)C(CC(=O)O)(C(=O)O)O |
| InChIKey | YYPBZNVNEDBLON-MEMPEZCVSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
L-Prolinamide, N-((tetrahydro-5-oxo-2-furanyl)carbonyl)-L-histidyl-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1) (CAS 96861-08-4), with molecular formula C22H29N5O12 and molecular weight 555.18 g/mol. IUPAC: 2-hydroxypropane-1,2,3-tricarboxylic acid;(2S)-1-[(2S)-3-(1H-imidazol-5-yl)-2-[(5-oxooxolane-2-carbonyl)amino]propanoyl]pyrrolidine-2-carboxamide.
Chemical Property Profile of L-Prolinamide, N-((tetrahydro-5-oxo-2-furanyl)carbonyl)-L-histidyl-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)
Property Insights of L-Prolinamide, N-((tetrahydro-5-oxo-2-furanyl)carbonyl)-L-histidyl-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)
The XLogP value of -2.6296 indicates that L-Prolinamide, N-((tetrahydro-5-oxo-2-furanyl)carbonyl)-L-histidyl-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 280.0 Ų indicates high polarity, suggesting L-Prolinamide, N-((tetrahydro-5-oxo-2-furanyl)carbonyl)-L-histidyl-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, L-Prolinamide, N-((tetrahydro-5-oxo-2-furanyl)carbonyl)-L-histidyl-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1) has 7 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of L-Prolinamide, N-((tetrahydro-5-oxo-2-furanyl)carbonyl)-L-histidyl-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)?
The CAS number of L-Prolinamide, N-((tetrahydro-5-oxo-2-furanyl)carbonyl)-L-histidyl-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1) is 96861-08-4.
What is the molecular formula of L-Prolinamide, N-((tetrahydro-5-oxo-2-furanyl)carbonyl)-L-histidyl-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)?
The molecular formula of L-Prolinamide, N-((tetrahydro-5-oxo-2-furanyl)carbonyl)-L-histidyl-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1) is C22H29N5O12.
What is the molecular weight of L-Prolinamide, N-((tetrahydro-5-oxo-2-furanyl)carbonyl)-L-histidyl-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)?
The molecular weight of L-Prolinamide, N-((tetrahydro-5-oxo-2-furanyl)carbonyl)-L-histidyl-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1) is 555.18 g/mol.
Where can I buy L-Prolinamide, N-((tetrahydro-5-oxo-2-furanyl)carbonyl)-L-histidyl-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)?
You can request a quote for L-Prolinamide, N-((tetrahydro-5-oxo-2-furanyl)carbonyl)-L-histidyl-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for L-Prolinamide, N-((tetrahydro-5-oxo-2-furanyl)carbonyl)-L-histidyl-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for L-Prolinamide, N-((tetrahydro-5-oxo-2-furanyl)carbonyl)-L-histidyl-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.