1-Tert-butyl-4-(4-nitrophenoxy)benzene
TL;DR: 1-Tert-butyl-4-(4-nitrophenoxy)benzene (CAS 34859-82-0) is a chemical compound with molecular formula C16H17NO3 and molecular weight 271.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-tert-butyl-4-(4-nitrophenoxy)benzene
Also Known As: 1-tert-butyl-4-(4-nitrophenoxy)benzene, 4-Nitro-4'-t-butyl diphenyl ether, 2-chloro-3-fluorobromobenzene, 1-(4-tert-butylphenoxy)-4-nitrobenzene, 4-tert-butylphenyl 4-nitrophenyl ether
| Molecular Formula | C16H17NO3 |
|---|---|
| Molecular Weight | 271.12 g/mol |
| LogP | 4.6846 |
| Topological Polar Surface Area | 52.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 271.12085 |
| Heavy Atoms | 20 |
| Complexity | 595.11426 |
Chemical Identifiers
| CAS Number | 34859-82-0 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)OC2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
1-Tert-butyl-4-(4-nitrophenoxy)benzene (CAS 34859-82-0), with molecular formula C16H17NO3 and molecular weight 271.12 g/mol. IUPAC: 1-tert-butyl-4-(4-nitrophenoxy)benzene.
Chemical Property Profile of 1-Tert-butyl-4-(4-nitrophenoxy)benzene
Property Insights of 1-Tert-butyl-4-(4-nitrophenoxy)benzene
The XLogP value of 4.6846 indicates that 1-Tert-butyl-4-(4-nitrophenoxy)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.37 Ų, 1-Tert-butyl-4-(4-nitrophenoxy)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Tert-butyl-4-(4-nitrophenoxy)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-Tert-butyl-4-(4-nitrophenoxy)benzene?
The CAS number of 1-Tert-butyl-4-(4-nitrophenoxy)benzene is 34859-82-0.
What is the molecular formula of 1-Tert-butyl-4-(4-nitrophenoxy)benzene?
The molecular formula of 1-Tert-butyl-4-(4-nitrophenoxy)benzene is C16H17NO3.
What is the molecular weight of 1-Tert-butyl-4-(4-nitrophenoxy)benzene?
The molecular weight of 1-Tert-butyl-4-(4-nitrophenoxy)benzene is 271.12 g/mol.
Where can I buy 1-Tert-butyl-4-(4-nitrophenoxy)benzene?
You can request a quote for 1-Tert-butyl-4-(4-nitrophenoxy)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Tert-butyl-4-(4-nitrophenoxy)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Tert-butyl-4-(4-nitrophenoxy)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.