1-Nitro-3-phenylpropane
TL;DR: 1-Nitro-3-phenylpropane (CAS 22818-69-5) is a chemical compound with molecular formula C9H11NO2 and molecular weight 165.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-nitropropylbenzene
Also Known As: 3-nitropropylbenzene, (3-Nitropropyl)benzene, 1-Nitro-3-phenylpropane, nitropropylbenzene, 1-Phenyl-3-nitropropane
| Molecular Formula | C9H11NO2 |
|---|---|
| Molecular Weight | 165.08 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 165.07898 |
| Heavy Atoms | 12 |
| Complexity | 136.0 |
Chemical Identifiers
| CAS Number | 22818-69-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCC[N+](=O)[O-] |
| InChIKey | ZROLMSLMPMSLRM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Nitro-3-phenylpropane (CAS 22818-69-5), with molecular formula C9H11NO2 and molecular weight 165.08 g/mol. IUPAC: 3-nitropropylbenzene.
Chemical Property Profile of 1-Nitro-3-phenylpropane
Property Insights of 1-Nitro-3-phenylpropane
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Nitro-3-phenylpropane. With a topological polar surface area (TPSA) of 45.8 Ų, 1-Nitro-3-phenylpropane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Nitro-3-phenylpropane has 0 hydrogen bond donor(s) and 2 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-Nitro-3-phenylpropane?
The CAS number of 1-Nitro-3-phenylpropane is 22818-69-5.
What is the molecular formula of 1-Nitro-3-phenylpropane?
The molecular formula of 1-Nitro-3-phenylpropane is C9H11NO2.
What is the molecular weight of 1-Nitro-3-phenylpropane?
The molecular weight of 1-Nitro-3-phenylpropane is 165.08 g/mol.
Where can I buy 1-Nitro-3-phenylpropane?
You can request a quote for 1-Nitro-3-phenylpropane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Nitro-3-phenylpropane?
Yes, KEHONG BIO provides custom synthesis services for 1-Nitro-3-phenylpropane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.