![Ethyl 4-{[(1E)-N-tert-butyl-3-(cyclohexylamino)propanimidoyl]amino}benzoate structure](/static/products/802/80281-70-5.png)
Ethyl 4-{[(1E)-N-tert-butyl-3-(cyclohexylamino)propanimidoyl]amino}benzoate
TL;DR: Ethyl 4-{[(1E)-N-tert-butyl-3-(cyclohexylamino)propanimidoyl]amino}benzoate (CAS 80281-70-5) is a chemical compound with molecular formula C22H35N3O2 and molecular weight 373.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[N-tert-butyl-C-[2-(cyclohexylamino)ethyl]carbonimidoyl]amino]benzoate
Also Known As: ethyl 4-[[N-tert-butyl-C-[2-(cyclohexylamino)ethyl]carbonimi, Ethyl 4-{[(1E)-N-tert-butyl-3-(cyclohexylamino)propanimidoyl]amino}benzoate, Ethyl 4-[(1E)-N-tert-butyl-3-(cyclohexylamino)propanimidamido]benzoate, ethyl 4-[[N-tert-butyl-C-[2-(cyclohexylamino)ethyl]carbonimidoyl]amino]benzoate
| Molecular Formula | C22H35N3O2 |
|---|---|
| Molecular Weight | 373.27 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 62.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 373.27292 |
| Heavy Atoms | 27 |
| Complexity | 470.0 |
Chemical Identifiers
| CAS Number | 80281-70-5 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=NC(C)(C)C)CCNC2CCCCC2 |
| InChIKey | MZMDROTZYOHRIW-UHFFFAOYSA-N |
Product Overview
Ethyl 4-{[(1E)-N-tert-butyl-3-(cyclohexylamino)propanimidoyl]amino}benzoate (CAS 80281-70-5), with molecular formula C22H35N3O2 and molecular weight 373.27 g/mol. IUPAC: ethyl 4-[[N-tert-butyl-C-[2-(cyclohexylamino)ethyl]carbonimidoyl]amino]benzoate.
Chemical Property Profile of Ethyl 4-{[(1E)-N-tert-butyl-3-(cyclohexylamino)propanimidoyl]amino}benzoate
Property Insights of Ethyl 4-{[(1E)-N-tert-butyl-3-(cyclohexylamino)propanimidoyl]amino}benzoate
The XLogP value of 3.7 indicates that Ethyl 4-{[(1E)-N-tert-butyl-3-(cyclohexylamino)propanimidoyl]amino}benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-{[(1E)-N-tert-butyl-3-(cyclohexylamino)propanimidoyl]amino}benzoate. Following Lipinski's Rule of Five, Ethyl 4-{[(1E)-N-tert-butyl-3-(cyclohexylamino)propanimidoyl]amino}benzoate has 2 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 Ethyl 4-{[(1E)-N-tert-butyl-3-(cyclohexylamino)propanimidoyl]amino}benzoate?
The CAS number of Ethyl 4-{[(1E)-N-tert-butyl-3-(cyclohexylamino)propanimidoyl]amino}benzoate is 80281-70-5.
What is the molecular formula of Ethyl 4-{[(1E)-N-tert-butyl-3-(cyclohexylamino)propanimidoyl]amino}benzoate?
The molecular formula of Ethyl 4-{[(1E)-N-tert-butyl-3-(cyclohexylamino)propanimidoyl]amino}benzoate is C22H35N3O2.
What is the molecular weight of Ethyl 4-{[(1E)-N-tert-butyl-3-(cyclohexylamino)propanimidoyl]amino}benzoate?
The molecular weight of Ethyl 4-{[(1E)-N-tert-butyl-3-(cyclohexylamino)propanimidoyl]amino}benzoate is 373.27 g/mol.
Where can I buy Ethyl 4-{[(1E)-N-tert-butyl-3-(cyclohexylamino)propanimidoyl]amino}benzoate?
You can request a quote for Ethyl 4-{[(1E)-N-tert-butyl-3-(cyclohexylamino)propanimidoyl]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-{[(1E)-N-tert-butyl-3-(cyclohexylamino)propanimidoyl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-{[(1E)-N-tert-butyl-3-(cyclohexylamino)propanimidoyl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.