(4-(4-Nitrophenyl)phenyl) N-tert-butylcarbamate
TL;DR: (4-(4-Nitrophenyl)phenyl) N-tert-butylcarbamate (CAS 122861-90-9) is a chemical compound with molecular formula C17H18N2O4 and molecular weight 314.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(4-nitrophenyl)phenyl] N-tert-butylcarbamate
Also Known As: (4-(4-Nitrophenyl)phenyl) N-tert-butylcarbamate, [4-(4-nitrophenyl)phenyl] N-tert-butylcarbamate, 4'-Nitro[1,1'-biphenyl]-4-yl tert-butylcarbamate
| Molecular Formula | C17H18N2O4 |
|---|---|
| Molecular Weight | 314.13 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 84.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 314.12665 |
| Heavy Atoms | 23 |
| Complexity | 411.0 |
Chemical Identifiers
| CAS Number | 122861-90-9 |
|---|---|
| SMILES | CC(C)(C)NC(=O)OC1=CC=C(C=C1)C2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | LYIGGZKMOPMTGH-UHFFFAOYSA-N |
Product Overview
(4-(4-Nitrophenyl)phenyl) N-tert-butylcarbamate (CAS 122861-90-9), with molecular formula C17H18N2O4 and molecular weight 314.13 g/mol. IUPAC: [4-(4-nitrophenyl)phenyl] N-tert-butylcarbamate.
Chemical Property Profile of (4-(4-Nitrophenyl)phenyl) N-tert-butylcarbamate
Property Insights of (4-(4-Nitrophenyl)phenyl) N-tert-butylcarbamate
The XLogP value of 3.9 indicates that (4-(4-Nitrophenyl)phenyl) N-tert-butylcarbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.2 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-(4-Nitrophenyl)phenyl) N-tert-butylcarbamate. Following Lipinski's Rule of Five, (4-(4-Nitrophenyl)phenyl) N-tert-butylcarbamate has 1 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 (4-(4-Nitrophenyl)phenyl) N-tert-butylcarbamate?
The CAS number of (4-(4-Nitrophenyl)phenyl) N-tert-butylcarbamate is 122861-90-9.
What is the molecular formula of (4-(4-Nitrophenyl)phenyl) N-tert-butylcarbamate?
The molecular formula of (4-(4-Nitrophenyl)phenyl) N-tert-butylcarbamate is C17H18N2O4.
What is the molecular weight of (4-(4-Nitrophenyl)phenyl) N-tert-butylcarbamate?
The molecular weight of (4-(4-Nitrophenyl)phenyl) N-tert-butylcarbamate is 314.13 g/mol.
Where can I buy (4-(4-Nitrophenyl)phenyl) N-tert-butylcarbamate?
You can request a quote for (4-(4-Nitrophenyl)phenyl) N-tert-butylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-(4-Nitrophenyl)phenyl) N-tert-butylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for (4-(4-Nitrophenyl)phenyl) N-tert-butylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.