1-Nitro-2-propylbenzene
TL;DR: 1-Nitro-2-propylbenzene (CAS 7137-54-4) 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.
1-nitro-2-propylbenzene
Also Known As: 1-Nitro-2-propylbenzene, Isobutyrophenone, o-Nitropropylbenzene, o-Propylnitrobenzene, 1-nitro-2-propyl-benzene
| Molecular Formula | C9H11NO2 |
|---|---|
| Molecular Weight | 165.08 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 165.07898 |
| Heavy Atoms | 12 |
| Complexity | 153.0 |
Chemical Identifiers
| CAS Number | 7137-54-4 |
|---|---|
| SMILES | CCCC1=CC=CC=C1[N+](=O)[O-] |
| InChIKey | UGAXDAGIKIVCQB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Nitro-2-propylbenzene (CAS 7137-54-4), with molecular formula C9H11NO2 and molecular weight 165.08 g/mol. IUPAC: 1-nitro-2-propylbenzene.
Chemical Property Profile of 1-Nitro-2-propylbenzene
Property Insights of 1-Nitro-2-propylbenzene
The XLogP value of 3.3 indicates that 1-Nitro-2-propylbenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.8 Ų, 1-Nitro-2-propylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Nitro-2-propylbenzene 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-2-propylbenzene?
The CAS number of 1-Nitro-2-propylbenzene is 7137-54-4.
What is the molecular formula of 1-Nitro-2-propylbenzene?
The molecular formula of 1-Nitro-2-propylbenzene is C9H11NO2.
What is the molecular weight of 1-Nitro-2-propylbenzene?
The molecular weight of 1-Nitro-2-propylbenzene is 165.08 g/mol.
Where can I buy 1-Nitro-2-propylbenzene?
You can request a quote for 1-Nitro-2-propylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Nitro-2-propylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Nitro-2-propylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.