Benzyl carbazate
TL;DR: Benzyl carbazate (CAS 5331-43-1) is a chemical compound with molecular formula C8H10N2O2 and molecular weight 166.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl N-aminocarbamate
Also Known As: Benzyl carbazate, Benzyl hydrazinecarboxylate, Carbobenzoxyhydrazide, Benzylcarbazate, benzyl N-aminocarbamate
| Molecular Formula | C8H10N2O2 |
|---|---|
| Molecular Weight | 166.07 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 64.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 166.07423 |
| Heavy Atoms | 12 |
| Complexity | 144.0 |
Chemical Identifiers
| CAS Number | 5331-43-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)NN |
| InChIKey | RXUBZLMIGSAPEJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzyl carbazate (CAS 5331-43-1), with molecular formula C8H10N2O2 and molecular weight 166.07 g/mol. IUPAC: benzyl N-aminocarbamate.
Chemical Property Profile of Benzyl carbazate
Property Insights of Benzyl carbazate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl carbazate. The TPSA of 64.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzyl carbazate. Following Lipinski's Rule of Five, Benzyl carbazate has 2 hydrogen bond donor(s) and 3 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 Benzyl carbazate?
The CAS number of Benzyl carbazate is 5331-43-1.
What is the molecular formula of Benzyl carbazate?
The molecular formula of Benzyl carbazate is C8H10N2O2.
What is the molecular weight of Benzyl carbazate?
The molecular weight of Benzyl carbazate is 166.07 g/mol.
Where can I buy Benzyl carbazate?
You can request a quote for Benzyl carbazate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl carbazate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl carbazate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.