tert-Butyl (4-nitrobenzoyl)oxycarbamate
TL;DR: tert-Butyl (4-nitrobenzoyl)oxycarbamate (CAS 35657-41-1) is a chemical compound with molecular formula C12H14N2O6 and molecular weight 282.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2-methylpropan-2-yl)oxycarbonylamino] 4-nitrobenzoate
Also Known As: tert-Butyl (4-nitrobenzoyl)oxycarbamate, tert-Butyl 4-nitrobenzoyloxycarbamate, [(2-methylpropan-2-yl)oxycarbonylamino] 4-nitrobenzoate, tert-butyl ((4-nitrobenzoyl)oxy)carbamate, tert-Butyl(4-nitrobenzoyl)oxycarbamate
| Molecular Formula | C12H14N2O6 |
|---|---|
| Molecular Weight | 282.09 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 282.08517 |
| Heavy Atoms | 20 |
| Complexity | 376.0 |
Chemical Identifiers
| CAS Number | 35657-41-1 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NOC(=O)C1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | OUSVXMMZACDPPH-UHFFFAOYSA-N |
Product Overview
tert-Butyl (4-nitrobenzoyl)oxycarbamate (CAS 35657-41-1), with molecular formula C12H14N2O6 and molecular weight 282.09 g/mol. IUPAC: [(2-methylpropan-2-yl)oxycarbonylamino] 4-nitrobenzoate.
Chemical Property Profile of tert-Butyl (4-nitrobenzoyl)oxycarbamate
Property Insights of tert-Butyl (4-nitrobenzoyl)oxycarbamate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-Butyl (4-nitrobenzoyl)oxycarbamate. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for tert-Butyl (4-nitrobenzoyl)oxycarbamate. Following Lipinski's Rule of Five, tert-Butyl (4-nitrobenzoyl)oxycarbamate has 1 hydrogen bond donor(s) and 6 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-nitrobenzoyl)oxycarbamate?
The CAS number of tert-Butyl (4-nitrobenzoyl)oxycarbamate is 35657-41-1.
What is the molecular formula of tert-Butyl (4-nitrobenzoyl)oxycarbamate?
The molecular formula of tert-Butyl (4-nitrobenzoyl)oxycarbamate is C12H14N2O6.
What is the molecular weight of tert-Butyl (4-nitrobenzoyl)oxycarbamate?
The molecular weight of tert-Butyl (4-nitrobenzoyl)oxycarbamate is 282.09 g/mol.
Where can I buy tert-Butyl (4-nitrobenzoyl)oxycarbamate?
You can request a quote for tert-Butyl (4-nitrobenzoyl)oxycarbamate 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-nitrobenzoyl)oxycarbamate?
Yes, KEHONG BIO provides custom synthesis services for tert-Butyl (4-nitrobenzoyl)oxycarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.