![ethyl 4-[(N-tert-butyl-C-methylcarbonimidoyl)amino]benzoate structure](/static/products/890/89020-27-9.png)
ethyl 4-[(N-tert-butyl-C-methylcarbonimidoyl)amino]benzoate
TL;DR: ethyl 4-[(N-tert-butyl-C-methylcarbonimidoyl)amino]benzoate (CAS 89020-27-9) is a chemical compound with molecular formula C15H22N2O2 and molecular weight 262.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(N-tert-butyl-C-methylcarbonimidoyl)amino]benzoate
Also Known As: ethyl 4-[(N-tert-butyl-C-methylcarbonimidoyl)amino]benzoate, Ethyl 4-[(1E)-N-tert-butylethanimidamido]benzoate, BENZOIC ACID,4-[[1-[(1,1-DIMETHYLETHYL)IMINO]ETHYL]AMINO]-, ETHYL ESTER
| Molecular Formula | C15H22N2O2 |
|---|---|
| Molecular Weight | 262.17 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 50.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 262.16812 |
| Heavy Atoms | 19 |
| Complexity | 324.0 |
Chemical Identifiers
| CAS Number | 89020-27-9 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=NC(C)(C)C)C |
| InChIKey | UOMYLKHWYXGJKX-UHFFFAOYSA-N |
Product Overview
ethyl 4-[(N-tert-butyl-C-methylcarbonimidoyl)amino]benzoate (CAS 89020-27-9), with molecular formula C15H22N2O2 and molecular weight 262.17 g/mol. IUPAC: ethyl 4-[(N-tert-butyl-C-methylcarbonimidoyl)amino]benzoate.
Chemical Property Profile of ethyl 4-[(N-tert-butyl-C-methylcarbonimidoyl)amino]benzoate
Property Insights of ethyl 4-[(N-tert-butyl-C-methylcarbonimidoyl)amino]benzoate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4-[(N-tert-butyl-C-methylcarbonimidoyl)amino]benzoate. With a topological polar surface area (TPSA) of 50.7 Ų, ethyl 4-[(N-tert-butyl-C-methylcarbonimidoyl)amino]benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 4-[(N-tert-butyl-C-methylcarbonimidoyl)amino]benzoate has 1 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 ethyl 4-[(N-tert-butyl-C-methylcarbonimidoyl)amino]benzoate?
The CAS number of ethyl 4-[(N-tert-butyl-C-methylcarbonimidoyl)amino]benzoate is 89020-27-9.
What is the molecular formula of ethyl 4-[(N-tert-butyl-C-methylcarbonimidoyl)amino]benzoate?
The molecular formula of ethyl 4-[(N-tert-butyl-C-methylcarbonimidoyl)amino]benzoate is C15H22N2O2.
What is the molecular weight of ethyl 4-[(N-tert-butyl-C-methylcarbonimidoyl)amino]benzoate?
The molecular weight of ethyl 4-[(N-tert-butyl-C-methylcarbonimidoyl)amino]benzoate is 262.17 g/mol.
Where can I buy ethyl 4-[(N-tert-butyl-C-methylcarbonimidoyl)amino]benzoate?
You can request a quote for ethyl 4-[(N-tert-butyl-C-methylcarbonimidoyl)amino]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-[(N-tert-butyl-C-methylcarbonimidoyl)amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-[(N-tert-butyl-C-methylcarbonimidoyl)amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.