2,3,5,6,7,8-Hexahydropyrrolizin-1-one;2,4,6-trinitrophenol
TL;DR: 2,3,5,6,7,8-Hexahydropyrrolizin-1-one;2,4,6-trinitrophenol (CAS 17390-07-7) is a chemical compound with molecular formula C13H14N4O8 and molecular weight 354.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,5,6,7,8-hexahydropyrrolizin-1-one;2,4,6-trinitrophenol
Also Known As: 1-ketopyrrolizidine picrate, NCI60_028650, 2,3,5,6,7,8-hexahydropyrrolizin-1-one; picric acid, 2,3,5,6,7,8-hexahydropyrrolizin-1-one,2,4,6-trinitrophenol, 2,3,5,6,7,8-hexahydropyrrolizin-1-one; 2,4,6-trinitrophenol
| Molecular Formula | C13H14N4O8 |
|---|---|
| Molecular Weight | 354.08 g/mol |
| LogP | 1.5404 |
| Topological Polar Surface Area | 178.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 0 |
| Exact Mass | 354.08118 |
| Heavy Atoms | 25 |
| Complexity | 435.0 |
Chemical Identifiers
| CAS Number | 17390-07-7 |
|---|---|
| SMILES | C1CC2C(=O)CCN2C1.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | HMXOCEBEADFWJP-UHFFFAOYSA-N |
Product Overview
2,3,5,6,7,8-Hexahydropyrrolizin-1-one;2,4,6-trinitrophenol (CAS 17390-07-7), with molecular formula C13H14N4O8 and molecular weight 354.08 g/mol. IUPAC: 2,3,5,6,7,8-hexahydropyrrolizin-1-one;2,4,6-trinitrophenol.
Chemical Property Profile of 2,3,5,6,7,8-Hexahydropyrrolizin-1-one;2,4,6-trinitrophenol
Property Insights of 2,3,5,6,7,8-Hexahydropyrrolizin-1-one;2,4,6-trinitrophenol
The XLogP value of 1.5404 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3,5,6,7,8-Hexahydropyrrolizin-1-one;2,4,6-trinitrophenol. The TPSA of 178.0 Ų indicates high polarity, suggesting 2,3,5,6,7,8-Hexahydropyrrolizin-1-one;2,4,6-trinitrophenol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,3,5,6,7,8-Hexahydropyrrolizin-1-one;2,4,6-trinitrophenol has 1 hydrogen bond donor(s) and 9 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 2,3,5,6,7,8-Hexahydropyrrolizin-1-one;2,4,6-trinitrophenol?
The CAS number of 2,3,5,6,7,8-Hexahydropyrrolizin-1-one;2,4,6-trinitrophenol is 17390-07-7.
What is the molecular formula of 2,3,5,6,7,8-Hexahydropyrrolizin-1-one;2,4,6-trinitrophenol?
The molecular formula of 2,3,5,6,7,8-Hexahydropyrrolizin-1-one;2,4,6-trinitrophenol is C13H14N4O8.
What is the molecular weight of 2,3,5,6,7,8-Hexahydropyrrolizin-1-one;2,4,6-trinitrophenol?
The molecular weight of 2,3,5,6,7,8-Hexahydropyrrolizin-1-one;2,4,6-trinitrophenol is 354.08 g/mol.
Where can I buy 2,3,5,6,7,8-Hexahydropyrrolizin-1-one;2,4,6-trinitrophenol?
You can request a quote for 2,3,5,6,7,8-Hexahydropyrrolizin-1-one;2,4,6-trinitrophenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,5,6,7,8-Hexahydropyrrolizin-1-one;2,4,6-trinitrophenol?
Yes, KEHONG BIO provides custom synthesis services for 2,3,5,6,7,8-Hexahydropyrrolizin-1-one;2,4,6-trinitrophenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.