1-Nitro-3-(3-phenylpropoxy)benzene
TL;DR: 1-Nitro-3-(3-phenylpropoxy)benzene (CAS 17399-20-1) is a chemical compound with molecular formula C15H15NO3 and molecular weight 257.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-nitro-3-(3-phenylpropoxy)benzene
Also Known As: 1-nitro-3-(3-phenylpropoxy)benzene
| Molecular Formula | C15H15NO3 |
|---|---|
| Molecular Weight | 257.11 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 257.1052 |
| Heavy Atoms | 19 |
| Complexity | 271.0 |
Chemical Identifiers
| CAS Number | 17399-20-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCCOC2=CC=CC(=C2)[N+](=O)[O-] |
| InChIKey | NHTKSTJQEUKNOS-UHFFFAOYSA-N |
Product Overview
1-Nitro-3-(3-phenylpropoxy)benzene (CAS 17399-20-1), with molecular formula C15H15NO3 and molecular weight 257.11 g/mol. IUPAC: 1-nitro-3-(3-phenylpropoxy)benzene.
Chemical Property Profile of 1-Nitro-3-(3-phenylpropoxy)benzene
Property Insights of 1-Nitro-3-(3-phenylpropoxy)benzene
The XLogP value of 4.0 indicates that 1-Nitro-3-(3-phenylpropoxy)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.1 Ų, 1-Nitro-3-(3-phenylpropoxy)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Nitro-3-(3-phenylpropoxy)benzene 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 1-Nitro-3-(3-phenylpropoxy)benzene?
The CAS number of 1-Nitro-3-(3-phenylpropoxy)benzene is 17399-20-1.
What is the molecular formula of 1-Nitro-3-(3-phenylpropoxy)benzene?
The molecular formula of 1-Nitro-3-(3-phenylpropoxy)benzene is C15H15NO3.
What is the molecular weight of 1-Nitro-3-(3-phenylpropoxy)benzene?
The molecular weight of 1-Nitro-3-(3-phenylpropoxy)benzene is 257.11 g/mol.
Where can I buy 1-Nitro-3-(3-phenylpropoxy)benzene?
You can request a quote for 1-Nitro-3-(3-phenylpropoxy)benzene 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-(3-phenylpropoxy)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Nitro-3-(3-phenylpropoxy)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.