1-Nitro-4-(3-phenoxypropoxy)benzene
TL;DR: 1-Nitro-4-(3-phenoxypropoxy)benzene (CAS 21339-66-2) is a chemical compound with molecular formula C15H15NO4 and molecular weight 273.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-nitro-4-(3-phenoxypropoxy)benzene
Also Known As: 1-nitro-4-(3-phenoxypropoxy)benzene, Benzene,1-nitro-4-(3-phenoxypropoxy)-, 2-(2-Hydroxyethylamino)-6-(3-chloroanilino)-9-isopropylpurine NG-52
| Molecular Formula | C15H15NO4 |
|---|---|
| Molecular Weight | 273.10 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 64.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 273.1001 |
| Heavy Atoms | 20 |
| Complexity | 278.0 |
Chemical Identifiers
| CAS Number | 21339-66-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)OCCCOC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | HZJOEFOOGWNEJW-UHFFFAOYSA-N |
Product Overview
1-Nitro-4-(3-phenoxypropoxy)benzene (CAS 21339-66-2), with molecular formula C15H15NO4 and molecular weight 273.10 g/mol. IUPAC: 1-nitro-4-(3-phenoxypropoxy)benzene.
Chemical Property Profile of 1-Nitro-4-(3-phenoxypropoxy)benzene
Property Insights of 1-Nitro-4-(3-phenoxypropoxy)benzene
The XLogP value of 4.3 indicates that 1-Nitro-4-(3-phenoxypropoxy)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Nitro-4-(3-phenoxypropoxy)benzene. Following Lipinski's Rule of Five, 1-Nitro-4-(3-phenoxypropoxy)benzene has 0 hydrogen bond donor(s) and 4 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-4-(3-phenoxypropoxy)benzene?
The CAS number of 1-Nitro-4-(3-phenoxypropoxy)benzene is 21339-66-2.
What is the molecular formula of 1-Nitro-4-(3-phenoxypropoxy)benzene?
The molecular formula of 1-Nitro-4-(3-phenoxypropoxy)benzene is C15H15NO4.
What is the molecular weight of 1-Nitro-4-(3-phenoxypropoxy)benzene?
The molecular weight of 1-Nitro-4-(3-phenoxypropoxy)benzene is 273.10 g/mol.
Where can I buy 1-Nitro-4-(3-phenoxypropoxy)benzene?
You can request a quote for 1-Nitro-4-(3-phenoxypropoxy)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-4-(3-phenoxypropoxy)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Nitro-4-(3-phenoxypropoxy)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.