![ethyl 4-[[N-tert-butyl-C-(1-chloroethenyl)carbonimidoyl]amino]benzoate structure](/static/products/858/85802-09-1.png)
ethyl 4-[[N-tert-butyl-C-(1-chloroethenyl)carbonimidoyl]amino]benzoate
TL;DR: ethyl 4-[[N-tert-butyl-C-(1-chloroethenyl)carbonimidoyl]amino]benzoate (CAS 85802-09-1) is a chemical compound with molecular formula C16H21ClN2O2 and molecular weight 308.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[N-tert-butyl-C-(1-chloroethenyl)carbonimidoyl]amino]benzoate
Also Known As: ethyl 4-[[N-tert-butyl-C-(1-chloroethenyl)carbonimidoyl]amino]benzoate, ethyl 4-[[N-tert-butyl-C-(1-chloroethenyl)carbonimidoyl]amin, Ethyl 4-[(1E)-N-tert-butyl-2-chloroprop-2-enimidamido]benzoate
| Molecular Formula | C16H21ClN2O2 |
|---|---|
| Molecular Weight | 308.13 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 50.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 308.12915 |
| Heavy Atoms | 21 |
| Complexity | 405.0 |
Chemical Identifiers
| CAS Number | 85802-09-1 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=NC(C)(C)C)C(=C)Cl |
| InChIKey | IIZGCCCCJINSFA-UHFFFAOYSA-N |
Product Overview
ethyl 4-[[N-tert-butyl-C-(1-chloroethenyl)carbonimidoyl]amino]benzoate (CAS 85802-09-1), with molecular formula C16H21ClN2O2 and molecular weight 308.13 g/mol. IUPAC: ethyl 4-[[N-tert-butyl-C-(1-chloroethenyl)carbonimidoyl]amino]benzoate.
Chemical Property Profile of ethyl 4-[[N-tert-butyl-C-(1-chloroethenyl)carbonimidoyl]amino]benzoate
Property Insights of ethyl 4-[[N-tert-butyl-C-(1-chloroethenyl)carbonimidoyl]amino]benzoate
The XLogP value of 3.8 indicates that ethyl 4-[[N-tert-butyl-C-(1-chloroethenyl)carbonimidoyl]amino]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.7 Ų, ethyl 4-[[N-tert-butyl-C-(1-chloroethenyl)carbonimidoyl]amino]benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 4-[[N-tert-butyl-C-(1-chloroethenyl)carbonimidoyl]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-(1-chloroethenyl)carbonimidoyl]amino]benzoate?
The CAS number of ethyl 4-[[N-tert-butyl-C-(1-chloroethenyl)carbonimidoyl]amino]benzoate is 85802-09-1.
What is the molecular formula of ethyl 4-[[N-tert-butyl-C-(1-chloroethenyl)carbonimidoyl]amino]benzoate?
The molecular formula of ethyl 4-[[N-tert-butyl-C-(1-chloroethenyl)carbonimidoyl]amino]benzoate is C16H21ClN2O2.
What is the molecular weight of ethyl 4-[[N-tert-butyl-C-(1-chloroethenyl)carbonimidoyl]amino]benzoate?
The molecular weight of ethyl 4-[[N-tert-butyl-C-(1-chloroethenyl)carbonimidoyl]amino]benzoate is 308.13 g/mol.
Where can I buy ethyl 4-[[N-tert-butyl-C-(1-chloroethenyl)carbonimidoyl]amino]benzoate?
You can request a quote for ethyl 4-[[N-tert-butyl-C-(1-chloroethenyl)carbonimidoyl]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-(1-chloroethenyl)carbonimidoyl]amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-[[N-tert-butyl-C-(1-chloroethenyl)carbonimidoyl]amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.