Benzene, 1-nitro-3-propoxy-
TL;DR: Benzene, 1-nitro-3-propoxy- (CAS 70599-87-0) is a chemical compound with molecular formula C9H11NO3 and molecular weight 181.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-nitro-3-propoxybenzene
Also Known As: 1-nitro-3-propoxybenzene, Benzene, 1-nitro-3-propoxy-, 1-nitro-3-propoxy-benzene, 3-nitro-n-propyloxybenzene, 1-Nitro-3-(propyloxy)benzene
| Molecular Formula | C9H11NO3 |
|---|---|
| Molecular Weight | 181.07 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 181.0739 |
| Heavy Atoms | 13 |
| Complexity | 167.0 |
Chemical Identifiers
| CAS Number | 70599-87-0 |
|---|---|
| SMILES | CCCOC1=CC=CC(=C1)[N+](=O)[O-] |
| InChIKey | ATCLUTSGXRLRKU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, 1-nitro-3-propoxy- (CAS 70599-87-0), with molecular formula C9H11NO3 and molecular weight 181.07 g/mol. IUPAC: 1-nitro-3-propoxybenzene.
Chemical Property Profile of Benzene, 1-nitro-3-propoxy-
Property Insights of Benzene, 1-nitro-3-propoxy-
The XLogP value of 3.1 indicates that Benzene, 1-nitro-3-propoxy- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.1 Ų, Benzene, 1-nitro-3-propoxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 1-nitro-3-propoxy- has 0 hydrogen bond donor(s) and 3 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 Benzene, 1-nitro-3-propoxy-?
The CAS number of Benzene, 1-nitro-3-propoxy- is 70599-87-0.
What is the molecular formula of Benzene, 1-nitro-3-propoxy-?
The molecular formula of Benzene, 1-nitro-3-propoxy- is C9H11NO3.
What is the molecular weight of Benzene, 1-nitro-3-propoxy-?
The molecular weight of Benzene, 1-nitro-3-propoxy- is 181.07 g/mol.
Where can I buy Benzene, 1-nitro-3-propoxy-?
You can request a quote for Benzene, 1-nitro-3-propoxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1-nitro-3-propoxy-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1-nitro-3-propoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.