tert-Butyl 2-(4-nitrobenzoyl)hydrazine-1-carboxylate
TL;DR: tert-Butyl 2-(4-nitrobenzoyl)hydrazine-1-carboxylate (CAS 93042-56-9) is a chemical compound with molecular formula C12H15N3O5 and molecular weight 281.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-[(4-nitrobenzoyl)amino]carbamate
Also Known As: Carbazic acid, tert-butyl ester, tert-butyl 2-(4-nitrobenzoyl)hydrazinecarboxylate, tert-butyl N-[(4-nitrobenzoyl)amino]carbamate, tert-Butyl 2-(4-nitrobenzoyl)hydrazine-1-carboxylate, Hydrazinecarboxylic acid, 1,1-dimethylethyl ester
| Molecular Formula | C12H15N3O5 |
|---|---|
| Molecular Weight | 281.10 g/mol |
| LogP | 1.7643 |
| Topological Polar Surface Area | 110.57 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 281.10117 |
| Heavy Atoms | 20 |
| Complexity | 518.88947 |
Chemical Identifiers
| CAS Number | 93042-56-9 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NNC(=O)C1=CC=C(C=C1)[N+](=O)[O-] |
Product Overview
tert-Butyl 2-(4-nitrobenzoyl)hydrazine-1-carboxylate (CAS 93042-56-9), with molecular formula C12H15N3O5 and molecular weight 281.10 g/mol. IUPAC: tert-butyl N-[(4-nitrobenzoyl)amino]carbamate.
Chemical Property Profile of tert-Butyl 2-(4-nitrobenzoyl)hydrazine-1-carboxylate
Property Insights of tert-Butyl 2-(4-nitrobenzoyl)hydrazine-1-carboxylate
The XLogP value of 1.7643 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-Butyl 2-(4-nitrobenzoyl)hydrazine-1-carboxylate. The TPSA of 110.57 Ų falls within the moderate polarity range, balancing permeability and solubility for tert-Butyl 2-(4-nitrobenzoyl)hydrazine-1-carboxylate. Following Lipinski's Rule of Five, tert-Butyl 2-(4-nitrobenzoyl)hydrazine-1-carboxylate has 2 hydrogen bond donor(s) and 5 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 2-(4-nitrobenzoyl)hydrazine-1-carboxylate?
The CAS number of tert-Butyl 2-(4-nitrobenzoyl)hydrazine-1-carboxylate is 93042-56-9.
What is the molecular formula of tert-Butyl 2-(4-nitrobenzoyl)hydrazine-1-carboxylate?
The molecular formula of tert-Butyl 2-(4-nitrobenzoyl)hydrazine-1-carboxylate is C12H15N3O5.
What is the molecular weight of tert-Butyl 2-(4-nitrobenzoyl)hydrazine-1-carboxylate?
The molecular weight of tert-Butyl 2-(4-nitrobenzoyl)hydrazine-1-carboxylate is 281.10 g/mol.
Where can I buy tert-Butyl 2-(4-nitrobenzoyl)hydrazine-1-carboxylate?
You can request a quote for tert-Butyl 2-(4-nitrobenzoyl)hydrazine-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-Butyl 2-(4-nitrobenzoyl)hydrazine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for tert-Butyl 2-(4-nitrobenzoyl)hydrazine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.