1-Phenyl-2-nitro-1,3-diacetoxypropane
TL;DR: 1-Phenyl-2-nitro-1,3-diacetoxypropane (CAS 77834-86-7) is a chemical compound with molecular formula C13H15NO6 and molecular weight 281.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-acetyloxy-2-nitro-3-phenylpropyl) acetate
Also Known As: Fenitropan, Fenitropane, Volparox, PNDP, Egyt 2248
| Molecular Formula | C13H15NO6 |
|---|---|
| Molecular Weight | 281.09 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 98.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 281.08994 |
| Heavy Atoms | 20 |
| Complexity | 358.0 |
Chemical Identifiers
| CAS Number | 77834-86-7 |
|---|---|
| SMILES | CC(=O)OCC(C(C1=CC=CC=C1)OC(=O)C)[N+](=O)[O-] |
| InChIKey | AYBALPYBYZFKDS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Phenyl-2-nitro-1,3-diacetoxypropane (CAS 77834-86-7), with molecular formula C13H15NO6 and molecular weight 281.09 g/mol. IUPAC: (3-acetyloxy-2-nitro-3-phenylpropyl) acetate.
Chemical Property Profile of 1-Phenyl-2-nitro-1,3-diacetoxypropane
Property Insights of 1-Phenyl-2-nitro-1,3-diacetoxypropane
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Phenyl-2-nitro-1,3-diacetoxypropane. The TPSA of 98.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Phenyl-2-nitro-1,3-diacetoxypropane. Following Lipinski's Rule of Five, 1-Phenyl-2-nitro-1,3-diacetoxypropane has 0 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 1-Phenyl-2-nitro-1,3-diacetoxypropane?
The CAS number of 1-Phenyl-2-nitro-1,3-diacetoxypropane is 77834-86-7.
What is the molecular formula of 1-Phenyl-2-nitro-1,3-diacetoxypropane?
The molecular formula of 1-Phenyl-2-nitro-1,3-diacetoxypropane is C13H15NO6.
What is the molecular weight of 1-Phenyl-2-nitro-1,3-diacetoxypropane?
The molecular weight of 1-Phenyl-2-nitro-1,3-diacetoxypropane is 281.09 g/mol.
Where can I buy 1-Phenyl-2-nitro-1,3-diacetoxypropane?
You can request a quote for 1-Phenyl-2-nitro-1,3-diacetoxypropane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Phenyl-2-nitro-1,3-diacetoxypropane?
Yes, KEHONG BIO provides custom synthesis services for 1-Phenyl-2-nitro-1,3-diacetoxypropane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.