Ethyl 4-(2-tert-butyliminohydrazinyl)benzoate
TL;DR: Ethyl 4-(2-tert-butyliminohydrazinyl)benzoate (CAS 91038-02-7) is a chemical compound with molecular formula C13H19N3O2 and molecular weight 249.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(2-tert-butyliminohydrazinyl)benzoate
Also Known As: ethyl 4-(2-tert-butyliminohydrazinyl)benzoate, Ethyl 4-[(2E)-3-tert-butyltriaz-2-en-1-yl]benzoate
| Molecular Formula | C13H19N3O2 |
|---|---|
| Molecular Weight | 249.15 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 63.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 249.14772 |
| Heavy Atoms | 18 |
| Complexity | 289.0 |
Chemical Identifiers
| CAS Number | 91038-02-7 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NN=NC(C)(C)C |
| InChIKey | DTPGCCFRUMGUPF-UHFFFAOYSA-N |
Product Overview
Ethyl 4-(2-tert-butyliminohydrazinyl)benzoate (CAS 91038-02-7), with molecular formula C13H19N3O2 and molecular weight 249.15 g/mol. IUPAC: ethyl 4-(2-tert-butyliminohydrazinyl)benzoate.
Chemical Property Profile of Ethyl 4-(2-tert-butyliminohydrazinyl)benzoate
Property Insights of Ethyl 4-(2-tert-butyliminohydrazinyl)benzoate
The XLogP value of 4.2 indicates that Ethyl 4-(2-tert-butyliminohydrazinyl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-(2-tert-butyliminohydrazinyl)benzoate. Following Lipinski's Rule of Five, Ethyl 4-(2-tert-butyliminohydrazinyl)benzoate has 1 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 Ethyl 4-(2-tert-butyliminohydrazinyl)benzoate?
The CAS number of Ethyl 4-(2-tert-butyliminohydrazinyl)benzoate is 91038-02-7.
What is the molecular formula of Ethyl 4-(2-tert-butyliminohydrazinyl)benzoate?
The molecular formula of Ethyl 4-(2-tert-butyliminohydrazinyl)benzoate is C13H19N3O2.
What is the molecular weight of Ethyl 4-(2-tert-butyliminohydrazinyl)benzoate?
The molecular weight of Ethyl 4-(2-tert-butyliminohydrazinyl)benzoate is 249.15 g/mol.
Where can I buy Ethyl 4-(2-tert-butyliminohydrazinyl)benzoate?
You can request a quote for Ethyl 4-(2-tert-butyliminohydrazinyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-(2-tert-butyliminohydrazinyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(2-tert-butyliminohydrazinyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.