Pyronopaline
TL;DR: Pyronopaline (CAS 86630-17-3) is a chemical compound with molecular formula C11H18N4O5 and molecular weight 286.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-1-[(1R)-1-carboxy-4-(diaminomethylideneamino)butyl]-5-oxopyrrolidine-2-carboxylic acid
Also Known As: Pyronopaline, N-(4-((Aminoiminomethyl)amino)-1-carboxybutyl)-2-pyrrolidone-5-carboxylic acid, 1-{(1R)-1-carboxy-4-[(diaminomethylidene)amino]butyl}-5-oxo-L-proline, 1-Pyrrolidineacetic acid, alpha-(3-((aminoiminomethyl)amino)propyl)-2-carboxy-5-oxo-, (S-(R*,S*))-, (2S)-1-[(1R)-1-carboxy-4-(diaminomethylideneamino)butyl]-5-oxo-pyrrolidine-2-carboxylic acid
| Molecular Formula | C11H18N4O5 |
|---|---|
| Molecular Weight | 286.13 g/mol |
| LogP | -1.8 |
| Topological Polar Surface Area | 159.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 286.12772 |
| Heavy Atoms | 20 |
| Complexity | 433.0 |
Chemical Identifiers
| CAS Number | 86630-17-3 |
|---|---|
| SMILES | C1CC(=O)N([C@@H]1C(=O)O)[C@H](CCCN=C(N)N)C(=O)O |
| InChIKey | GTRMYGUJZGMZEF-RQJHMYQMSA-N |
Product Overview
Pyronopaline (CAS 86630-17-3), with molecular formula C11H18N4O5 and molecular weight 286.13 g/mol. IUPAC: (2S)-1-[(1R)-1-carboxy-4-(diaminomethylideneamino)butyl]-5-oxopyrrolidine-2-carboxylic acid.
Chemical Property Profile of Pyronopaline
Property Insights of Pyronopaline
The XLogP value of -1.8 indicates that Pyronopaline is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 159.0 Ų indicates high polarity, suggesting Pyronopaline may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pyronopaline has 4 hydrogen bond donor(s) and 6 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 Pyronopaline?
The CAS number of Pyronopaline is 86630-17-3.
What is the molecular formula of Pyronopaline?
The molecular formula of Pyronopaline is C11H18N4O5.
What is the molecular weight of Pyronopaline?
The molecular weight of Pyronopaline is 286.13 g/mol.
Where can I buy Pyronopaline?
You can request a quote for Pyronopaline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyronopaline?
Yes, KEHONG BIO provides custom synthesis services for Pyronopaline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.