Methyl N-(5-oxo-L-prolyl)-L-histidinate
TL;DR: Methyl N-(5-oxo-L-prolyl)-L-histidinate (CAS 25575-88-6) is a chemical compound with molecular formula C12H16N4O4 and molecular weight 280.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S)-3-(1H-imidazol-5-yl)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]propanoate
Also Known As: pGlu-His-OMe, methylN- -L-histidinate, 5-Oxo-L-Pro-L-His-OMe, Methyl N-(5-oxo-L-prolyl)-L-histidinate, methyl 5-oxo-L-prolyl-L-histidinate
| Molecular Formula | C12H16N4O4 |
|---|---|
| Molecular Weight | 280.12 g/mol |
| LogP | -1.5 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 280.11716 |
| Heavy Atoms | 20 |
| Complexity | 401.0 |
Chemical Identifiers
| CAS Number | 25575-88-6 |
|---|---|
| SMILES | COC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@@H]2CCC(=O)N2 |
| InChIKey | OYBCNAPVAXUGLB-IUCAKERBSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl N-(5-oxo-L-prolyl)-L-histidinate (CAS 25575-88-6), with molecular formula C12H16N4O4 and molecular weight 280.12 g/mol. IUPAC: methyl (2S)-3-(1H-imidazol-5-yl)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]propanoate.
Chemical Property Profile of Methyl N-(5-oxo-L-prolyl)-L-histidinate
Property Insights of Methyl N-(5-oxo-L-prolyl)-L-histidinate
The XLogP value of -1.5 indicates that Methyl N-(5-oxo-L-prolyl)-L-histidinate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl N-(5-oxo-L-prolyl)-L-histidinate. Following Lipinski's Rule of Five, Methyl N-(5-oxo-L-prolyl)-L-histidinate has 3 hydrogen bond donor(s) and 5 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 Methyl N-(5-oxo-L-prolyl)-L-histidinate?
The CAS number of Methyl N-(5-oxo-L-prolyl)-L-histidinate is 25575-88-6.
What is the molecular formula of Methyl N-(5-oxo-L-prolyl)-L-histidinate?
The molecular formula of Methyl N-(5-oxo-L-prolyl)-L-histidinate is C12H16N4O4.
What is the molecular weight of Methyl N-(5-oxo-L-prolyl)-L-histidinate?
The molecular weight of Methyl N-(5-oxo-L-prolyl)-L-histidinate is 280.12 g/mol.
Where can I buy Methyl N-(5-oxo-L-prolyl)-L-histidinate?
You can request a quote for Methyl N-(5-oxo-L-prolyl)-L-histidinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl N-(5-oxo-L-prolyl)-L-histidinate?
Yes, KEHONG BIO provides custom synthesis services for Methyl N-(5-oxo-L-prolyl)-L-histidinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.