2,4,6-Trinitrophenol--hexahydro-1H-pyrrolizine (1/1)
TL;DR: 2,4,6-Trinitrophenol--hexahydro-1H-pyrrolizine (1/1) (CAS 14129-07-8) is a chemical compound with molecular formula C13H16N4O7 and molecular weight 340.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,5,6,7,8-hexahydro-1H-pyrrolizine;2,4,6-trinitrophenol
Also Known As: 2,4,6-Trinitrophenol--hexahydro-1H-pyrrolizine (1/1), 2,3,5,6,7,8-hexahydro-1H-pyrrolizine; 2,4,6-trinitrophenol
| Molecular Formula | C13H16N4O7 |
|---|---|
| Molecular Weight | 340.10 g/mol |
| LogP | 2.3614 |
| Topological Polar Surface Area | 161.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 0 |
| Exact Mass | 340.1019 |
| Heavy Atoms | 24 |
| Complexity | 372.0 |
Chemical Identifiers
| CAS Number | 14129-07-8 |
|---|---|
| SMILES | C1CC2CCCN2C1.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | OPLXDNJUJZKKBW-UHFFFAOYSA-N |
Product Overview
2,4,6-Trinitrophenol--hexahydro-1H-pyrrolizine (1/1) (CAS 14129-07-8), with molecular formula C13H16N4O7 and molecular weight 340.10 g/mol. IUPAC: 2,3,5,6,7,8-hexahydro-1H-pyrrolizine;2,4,6-trinitrophenol.
Chemical Property Profile of 2,4,6-Trinitrophenol--hexahydro-1H-pyrrolizine (1/1)
Property Insights of 2,4,6-Trinitrophenol--hexahydro-1H-pyrrolizine (1/1)
The XLogP value of 2.3614 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4,6-Trinitrophenol--hexahydro-1H-pyrrolizine (1/1). The TPSA of 161.0 Ų indicates high polarity, suggesting 2,4,6-Trinitrophenol--hexahydro-1H-pyrrolizine (1/1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,4,6-Trinitrophenol--hexahydro-1H-pyrrolizine (1/1) has 1 hydrogen bond donor(s) and 8 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 2,4,6-Trinitrophenol--hexahydro-1H-pyrrolizine (1/1)?
The CAS number of 2,4,6-Trinitrophenol--hexahydro-1H-pyrrolizine (1/1) is 14129-07-8.
What is the molecular formula of 2,4,6-Trinitrophenol--hexahydro-1H-pyrrolizine (1/1)?
The molecular formula of 2,4,6-Trinitrophenol--hexahydro-1H-pyrrolizine (1/1) is C13H16N4O7.
What is the molecular weight of 2,4,6-Trinitrophenol--hexahydro-1H-pyrrolizine (1/1)?
The molecular weight of 2,4,6-Trinitrophenol--hexahydro-1H-pyrrolizine (1/1) is 340.10 g/mol.
Where can I buy 2,4,6-Trinitrophenol--hexahydro-1H-pyrrolizine (1/1)?
You can request a quote for 2,4,6-Trinitrophenol--hexahydro-1H-pyrrolizine (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,6-Trinitrophenol--hexahydro-1H-pyrrolizine (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 2,4,6-Trinitrophenol--hexahydro-1H-pyrrolizine (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.