3-(1,1-Dimethylethyl)-4-nitro-1,1'-biphenyl
TL;DR: 3-(1,1-Dimethylethyl)-4-nitro-1,1'-biphenyl (CAS 70634-28-5) is a chemical compound with molecular formula C16H17NO2 and molecular weight 255.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-tert-butyl-1-nitro-4-phenylbenzene
Also Known As: 3-(1,1-Dimethylethyl)-4-nitro-1,1'-biphenyl, 3-TERT-BUTYL-4-NITROBIPHENYL, 2-tert-butyl-1-nitro-4-phenylbenzene, 3-tert-Butyl-4-nitro-1,1'-biphenyl, 4-Nitro-3-tert-butyl-1,1 -biphenyl
| Molecular Formula | C16H17NO2 |
|---|---|
| Molecular Weight | 255.13 g/mol |
| LogP | 4.5593 |
| Topological Polar Surface Area | 43.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 255.12593 |
| Heavy Atoms | 19 |
| Complexity | 597.8912 |
Chemical Identifiers
| CAS Number | 70634-28-5 |
|---|---|
| SMILES | CC(C)(C)C1=C(C=CC(=C1)C2=CC=CC=C2)[N+](=O)[O-] |
Product Overview
3-(1,1-Dimethylethyl)-4-nitro-1,1'-biphenyl (CAS 70634-28-5), with molecular formula C16H17NO2 and molecular weight 255.13 g/mol. IUPAC: 2-tert-butyl-1-nitro-4-phenylbenzene.
Chemical Property Profile of 3-(1,1-Dimethylethyl)-4-nitro-1,1'-biphenyl
Property Insights of 3-(1,1-Dimethylethyl)-4-nitro-1,1'-biphenyl
The XLogP value of 4.5593 indicates that 3-(1,1-Dimethylethyl)-4-nitro-1,1'-biphenyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.14 Ų, 3-(1,1-Dimethylethyl)-4-nitro-1,1'-biphenyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1,1-Dimethylethyl)-4-nitro-1,1'-biphenyl 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 3-(1,1-Dimethylethyl)-4-nitro-1,1'-biphenyl?
The CAS number of 3-(1,1-Dimethylethyl)-4-nitro-1,1'-biphenyl is 70634-28-5.
What is the molecular formula of 3-(1,1-Dimethylethyl)-4-nitro-1,1'-biphenyl?
The molecular formula of 3-(1,1-Dimethylethyl)-4-nitro-1,1'-biphenyl is C16H17NO2.
What is the molecular weight of 3-(1,1-Dimethylethyl)-4-nitro-1,1'-biphenyl?
The molecular weight of 3-(1,1-Dimethylethyl)-4-nitro-1,1'-biphenyl is 255.13 g/mol.
Where can I buy 3-(1,1-Dimethylethyl)-4-nitro-1,1'-biphenyl?
You can request a quote for 3-(1,1-Dimethylethyl)-4-nitro-1,1'-biphenyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1,1-Dimethylethyl)-4-nitro-1,1'-biphenyl?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,1-Dimethylethyl)-4-nitro-1,1'-biphenyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.