4-Isopropylnitrobenzene
TL;DR: 4-Isopropylnitrobenzene (CAS 1817-47-6) 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-4-propan-2-ylbenzene
Also Known As: 1-Isopropyl-4-nitrobenzene, 4-Nitrocumene, p-Nitrocumene, Cumene, p-nitro-, 4-ISOPROPYLNITROBENZENE
| Molecular Formula | C9H11NO2 |
|---|---|
| Molecular Weight | 165.08 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 165.07898 |
| Heavy Atoms | 12 |
| Complexity | 154.0 |
Chemical Identifiers
| CAS Number | 1817-47-6 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | JXMYUMNAEKRMIP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Isopropylnitrobenzene (CAS 1817-47-6), with molecular formula C9H11NO2 and molecular weight 165.08 g/mol. IUPAC: 1-nitro-4-propan-2-ylbenzene.
Chemical Property Profile of 4-Isopropylnitrobenzene
Property Insights of 4-Isopropylnitrobenzene
The XLogP value of 3.5 indicates that 4-Isopropylnitrobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.8 Ų, 4-Isopropylnitrobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Isopropylnitrobenzene 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 4-Isopropylnitrobenzene?
The CAS number of 4-Isopropylnitrobenzene is 1817-47-6.
What is the molecular formula of 4-Isopropylnitrobenzene?
The molecular formula of 4-Isopropylnitrobenzene is C9H11NO2.
What is the molecular weight of 4-Isopropylnitrobenzene?
The molecular weight of 4-Isopropylnitrobenzene is 165.08 g/mol.
Where can I buy 4-Isopropylnitrobenzene?
You can request a quote for 4-Isopropylnitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Isopropylnitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 4-Isopropylnitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.