![ethyl 4-[[N-tert-butyl-C-(2-phenylsulfanylethyl)carbonimidoyl]amino]benzoate structure](/static/products/7375/73750-34-2.webp)
ethyl 4-[[N-tert-butyl-C-(2-phenylsulfanylethyl)carbonimidoyl]amino]benzoate
TL;DR: ethyl 4-[[N-tert-butyl-C-(2-phenylsulfanylethyl)carbonimidoyl]amino]benzoate (CAS 73750-34-2) is a chemical compound with molecular formula C22H28N2O2S and molecular weight 384.19 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-phenylsulfanylethyl)carbonimidoyl]amino]benzoate
Also Known As: ethyl 4-[[N-tert-butyl-C-(2-phenylsulfanylethyl)carbonimidoyl]amino]benzoate, ethyl 4-[[N-tert-butyl-C-(2-phenylsulfanylethyl)carbonimidoy, Ethyl 4-[(1E)-N-tert-butyl-3-(phenylsulfanyl)propanimidamido]benzoate
| Molecular Formula | C22H28N2O2S |
|---|---|
| Molecular Weight | 384.19 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 76.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 384.18716 |
| Heavy Atoms | 27 |
| Complexity | 473.0 |
Chemical Identifiers
| CAS Number | 73750-34-2 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=NC(C)(C)C)CCSC2=CC=CC=C2 |
| InChIKey | PSQADHADUSKUIY-UHFFFAOYSA-N |
Product Overview
ethyl 4-[[N-tert-butyl-C-(2-phenylsulfanylethyl)carbonimidoyl]amino]benzoate (CAS 73750-34-2), with molecular formula C22H28N2O2S and molecular weight 384.19 g/mol. IUPAC: ethyl 4-[[N-tert-butyl-C-(2-phenylsulfanylethyl)carbonimidoyl]amino]benzoate.
Chemical Property Profile of ethyl 4-[[N-tert-butyl-C-(2-phenylsulfanylethyl)carbonimidoyl]amino]benzoate
Property Insights of ethyl 4-[[N-tert-butyl-C-(2-phenylsulfanylethyl)carbonimidoyl]amino]benzoate
The XLogP value of 4.5 indicates that ethyl 4-[[N-tert-butyl-C-(2-phenylsulfanylethyl)carbonimidoyl]amino]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-[[N-tert-butyl-C-(2-phenylsulfanylethyl)carbonimidoyl]amino]benzoate. Following Lipinski's Rule of Five, ethyl 4-[[N-tert-butyl-C-(2-phenylsulfanylethyl)carbonimidoyl]amino]benzoate 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 ethyl 4-[[N-tert-butyl-C-(2-phenylsulfanylethyl)carbonimidoyl]amino]benzoate?
The CAS number of ethyl 4-[[N-tert-butyl-C-(2-phenylsulfanylethyl)carbonimidoyl]amino]benzoate is 73750-34-2.
What is the molecular formula of ethyl 4-[[N-tert-butyl-C-(2-phenylsulfanylethyl)carbonimidoyl]amino]benzoate?
The molecular formula of ethyl 4-[[N-tert-butyl-C-(2-phenylsulfanylethyl)carbonimidoyl]amino]benzoate is C22H28N2O2S.
What is the molecular weight of ethyl 4-[[N-tert-butyl-C-(2-phenylsulfanylethyl)carbonimidoyl]amino]benzoate?
The molecular weight of ethyl 4-[[N-tert-butyl-C-(2-phenylsulfanylethyl)carbonimidoyl]amino]benzoate is 384.19 g/mol.
Where can I buy ethyl 4-[[N-tert-butyl-C-(2-phenylsulfanylethyl)carbonimidoyl]amino]benzoate?
You can request a quote for ethyl 4-[[N-tert-butyl-C-(2-phenylsulfanylethyl)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-(2-phenylsulfanylethyl)carbonimidoyl]amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-[[N-tert-butyl-C-(2-phenylsulfanylethyl)carbonimidoyl]amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.