Pentryl
TL;DR: Pentryl (CAS 4481-55-4) is a chemical compound with molecular formula C8H6N6O11 and molecular weight 362.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(N,2,4,6-tetranitroanilino)ethyl nitrate
Also Known As: Pentryl, Pentryl [MI], Ex118, 2-(N,2,4,6-tetranitroanilino)ethyl nitrate, Ethanol, 2-(nitro(2,4,6-trinitrophenyl)amino)-, 1-nitrate
| Molecular Formula | C8H6N6O11 |
|---|---|
| Molecular Weight | 362.01 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 242.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 4 |
| Exact Mass | 362.00946 |
| Heavy Atoms | 25 |
| Complexity | 531.0 |
Chemical Identifiers
| CAS Number | 4481-55-4 |
|---|---|
| SMILES | C1=C(C=C(C(=C1[N+](=O)[O-])N(CCO[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | UNMSQGCYXOMOAC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pentryl (CAS 4481-55-4), with molecular formula C8H6N6O11 and molecular weight 362.01 g/mol. IUPAC: 2-(N,2,4,6-tetranitroanilino)ethyl nitrate.
Chemical Property Profile of Pentryl
Property Insights of Pentryl
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pentryl. The TPSA of 242.0 Ų indicates high polarity, suggesting Pentryl may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pentryl has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pentryl?
The CAS number of Pentryl is 4481-55-4.
What is the molecular formula of Pentryl?
The molecular formula of Pentryl is C8H6N6O11.
What is the molecular weight of Pentryl?
The molecular weight of Pentryl is 362.01 g/mol.
Where can I buy Pentryl?
You can request a quote for Pentryl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentryl?
Yes, KEHONG BIO provides custom synthesis services for Pentryl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.