1-Cyclopropyl-3-nitrobenzene
TL;DR: 1-Cyclopropyl-3-nitrobenzene (CAS 22396-07-2) is a chemical compound with molecular formula C9H9NO2 and molecular weight 163.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-cyclopropyl-3-nitrobenzene
Also Known As: 1-Cyclopropyl-3-nitrobenzene, m-Nitrophenylcyclopropane, 3-nitrophenylcyclopropane, Benzene, 1-cyclopropyl-3-nitro-, 1-Cyclopropyl-3-nitrobenzene #
| Molecular Formula | C9H9NO2 |
|---|---|
| Molecular Weight | 163.06 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 163.06332 |
| Heavy Atoms | 12 |
| Complexity | 183.0 |
Chemical Identifiers
| CAS Number | 22396-07-2 |
|---|---|
| SMILES | C1CC1C2=CC(=CC=C2)[N+](=O)[O-] |
| InChIKey | NUPSUMGHUALRQZ-UHFFFAOYSA-N |
Product Overview
1-Cyclopropyl-3-nitrobenzene (CAS 22396-07-2), with molecular formula C9H9NO2 and molecular weight 163.06 g/mol. IUPAC: 1-cyclopropyl-3-nitrobenzene.
Chemical Property Profile of 1-Cyclopropyl-3-nitrobenzene
Property Insights of 1-Cyclopropyl-3-nitrobenzene
The XLogP value of 3.0 indicates that 1-Cyclopropyl-3-nitrobenzene 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-Cyclopropyl-3-nitrobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Cyclopropyl-3-nitrobenzene 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-Cyclopropyl-3-nitrobenzene?
The CAS number of 1-Cyclopropyl-3-nitrobenzene is 22396-07-2.
What is the molecular formula of 1-Cyclopropyl-3-nitrobenzene?
The molecular formula of 1-Cyclopropyl-3-nitrobenzene is C9H9NO2.
What is the molecular weight of 1-Cyclopropyl-3-nitrobenzene?
The molecular weight of 1-Cyclopropyl-3-nitrobenzene is 163.06 g/mol.
Where can I buy 1-Cyclopropyl-3-nitrobenzene?
You can request a quote for 1-Cyclopropyl-3-nitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Cyclopropyl-3-nitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Cyclopropyl-3-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.