tert-Butyl 4-nitrophenylcarbamate
TL;DR: tert-Butyl 4-nitrophenylcarbamate (CAS 18437-63-3) is a chemical compound with molecular formula C11H14N2O4 and molecular weight 238.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-(4-nitrophenyl)carbamate
Also Known As: tert-Butyl 4-nitrophenylcarbamate, tert-Butyl (4-nitrophenyl)carbamate, tert-Butyl N-(4-nitrophenyl)carbamate, N-Boc-4-nitroaniline, 1-N-Boc-4-Nitroaniline
| Molecular Formula | C11H14N2O4 |
|---|---|
| Molecular Weight | 238.10 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 84.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 238.09535 |
| Heavy Atoms | 17 |
| Complexity | 285.0 |
Chemical Identifiers
| CAS Number | 18437-63-3 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NC1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | XZBFRRXPMQLVPL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
tert-Butyl 4-nitrophenylcarbamate (CAS 18437-63-3), with molecular formula C11H14N2O4 and molecular weight 238.10 g/mol. IUPAC: tert-butyl N-(4-nitrophenyl)carbamate.
Chemical Property Profile of tert-Butyl 4-nitrophenylcarbamate
Property Insights of tert-Butyl 4-nitrophenylcarbamate
The XLogP value of 3.2 indicates that tert-Butyl 4-nitrophenylcarbamate 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 tert-Butyl 4-nitrophenylcarbamate. Following Lipinski's Rule of Five, tert-Butyl 4-nitrophenylcarbamate 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 tert-Butyl 4-nitrophenylcarbamate?
The CAS number of tert-Butyl 4-nitrophenylcarbamate is 18437-63-3.
What is the molecular formula of tert-Butyl 4-nitrophenylcarbamate?
The molecular formula of tert-Butyl 4-nitrophenylcarbamate is C11H14N2O4.
What is the molecular weight of tert-Butyl 4-nitrophenylcarbamate?
The molecular weight of tert-Butyl 4-nitrophenylcarbamate is 238.10 g/mol.
Where can I buy tert-Butyl 4-nitrophenylcarbamate?
You can request a quote for tert-Butyl 4-nitrophenylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-Butyl 4-nitrophenylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for tert-Butyl 4-nitrophenylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.