Tert-butyl-2-(4-cyanobenzylidene)hydrazinecarboxylate
TL;DR: Tert-butyl-2-(4-cyanobenzylidene)hydrazinecarboxylate (CAS 149267-91-4) is a chemical compound with molecular formula C13H15N3O2 and molecular weight 245.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-[(4-cyanophenyl)methylideneamino]carbamate
Also Known As: tert-butyl-2-(4-cyanobenzylidene)hydrazinecarboxylate
| Molecular Formula | C13H15N3O2 |
|---|---|
| Molecular Weight | 245.12 g/mol |
| LogP | 2.41688 |
| Topological Polar Surface Area | 74.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 245.11642 |
| Heavy Atoms | 18 |
| Complexity | 478.4432 |
Chemical Identifiers
| CAS Number | 149267-91-4 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NN=CC1=CC=C(C=C1)C#N |
Product Overview
Tert-butyl-2-(4-cyanobenzylidene)hydrazinecarboxylate (CAS 149267-91-4), with molecular formula C13H15N3O2 and molecular weight 245.12 g/mol. IUPAC: tert-butyl N-[(4-cyanophenyl)methylideneamino]carbamate.
Chemical Property Profile of Tert-butyl-2-(4-cyanobenzylidene)hydrazinecarboxylate
Property Insights of Tert-butyl-2-(4-cyanobenzylidene)hydrazinecarboxylate
The XLogP value of 2.41688 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tert-butyl-2-(4-cyanobenzylidene)hydrazinecarboxylate. The TPSA of 74.48 Ų falls within the moderate polarity range, balancing permeability and solubility for Tert-butyl-2-(4-cyanobenzylidene)hydrazinecarboxylate. Following Lipinski's Rule of Five, Tert-butyl-2-(4-cyanobenzylidene)hydrazinecarboxylate 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-2-(4-cyanobenzylidene)hydrazinecarboxylate?
The CAS number of Tert-butyl-2-(4-cyanobenzylidene)hydrazinecarboxylate is 149267-91-4.
What is the molecular formula of Tert-butyl-2-(4-cyanobenzylidene)hydrazinecarboxylate?
The molecular formula of Tert-butyl-2-(4-cyanobenzylidene)hydrazinecarboxylate is C13H15N3O2.
What is the molecular weight of Tert-butyl-2-(4-cyanobenzylidene)hydrazinecarboxylate?
The molecular weight of Tert-butyl-2-(4-cyanobenzylidene)hydrazinecarboxylate is 245.12 g/mol.
Where can I buy Tert-butyl-2-(4-cyanobenzylidene)hydrazinecarboxylate?
You can request a quote for Tert-butyl-2-(4-cyanobenzylidene)hydrazinecarboxylate 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-cyanobenzylidene)hydrazinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Tert-butyl-2-(4-cyanobenzylidene)hydrazinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.