![Ethyl 4-[[2-[1-(4-nitrophenyl)imidazol-2-yl]sulfanylacetyl]amino]benzoate structure](/static/products/851/851079-37-3.png)
Ethyl 4-[[2-[1-(4-nitrophenyl)imidazol-2-yl]sulfanylacetyl]amino]benzoate
TL;DR: Ethyl 4-[[2-[1-(4-nitrophenyl)imidazol-2-yl]sulfanylacetyl]amino]benzoate (CAS 851079-37-3) is a chemical compound with molecular formula C20H18N4O5S and molecular weight 426.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-[1-(4-nitrophenyl)imidazol-2-yl]sulfanylacetyl]amino]benzoate
Also Known As: ethyl 4-(2-{[1-(4-nitrophenyl)-1H-imidazol-2-yl]sulfanyl}acetamido)benzoate, ethyl 4-(2-((1-(4-nitrophenyl)-1H-imidazol-2-yl)thio)acetamido)benzoate, Ethyl 4-[[2-[1-(4-nitrophenyl)imidazol-2-yl]sulfanylacetyl]amino]benzoate, F0599-0539
| Molecular Formula | C20H18N4O5S |
|---|---|
| Molecular Weight | 426.10 g/mol |
| LogP | 3.688 |
| Topological Polar Surface Area | 116.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 426.0998 |
| Heavy Atoms | 30 |
| Complexity | 1047.8186 |
Chemical Identifiers
| CAS Number | 851079-37-3 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC=CN2C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
Ethyl 4-[[2-[1-(4-nitrophenyl)imidazol-2-yl]sulfanylacetyl]amino]benzoate (CAS 851079-37-3), with molecular formula C20H18N4O5S and molecular weight 426.10 g/mol. IUPAC: ethyl 4-[[2-[1-(4-nitrophenyl)imidazol-2-yl]sulfanylacetyl]amino]benzoate.
Chemical Property Profile of Ethyl 4-[[2-[1-(4-nitrophenyl)imidazol-2-yl]sulfanylacetyl]amino]benzoate
Property Insights of Ethyl 4-[[2-[1-(4-nitrophenyl)imidazol-2-yl]sulfanylacetyl]amino]benzoate
The XLogP value of 3.688 indicates that Ethyl 4-[[2-[1-(4-nitrophenyl)imidazol-2-yl]sulfanylacetyl]amino]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.36 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-[[2-[1-(4-nitrophenyl)imidazol-2-yl]sulfanylacetyl]amino]benzoate. Following Lipinski's Rule of Five, Ethyl 4-[[2-[1-(4-nitrophenyl)imidazol-2-yl]sulfanylacetyl]amino]benzoate has 1 hydrogen bond donor(s) and 7 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-[1-(4-nitrophenyl)imidazol-2-yl]sulfanylacetyl]amino]benzoate?
The CAS number of Ethyl 4-[[2-[1-(4-nitrophenyl)imidazol-2-yl]sulfanylacetyl]amino]benzoate is 851079-37-3.
What is the molecular formula of Ethyl 4-[[2-[1-(4-nitrophenyl)imidazol-2-yl]sulfanylacetyl]amino]benzoate?
The molecular formula of Ethyl 4-[[2-[1-(4-nitrophenyl)imidazol-2-yl]sulfanylacetyl]amino]benzoate is C20H18N4O5S.
What is the molecular weight of Ethyl 4-[[2-[1-(4-nitrophenyl)imidazol-2-yl]sulfanylacetyl]amino]benzoate?
The molecular weight of Ethyl 4-[[2-[1-(4-nitrophenyl)imidazol-2-yl]sulfanylacetyl]amino]benzoate is 426.10 g/mol.
Where can I buy Ethyl 4-[[2-[1-(4-nitrophenyl)imidazol-2-yl]sulfanylacetyl]amino]benzoate?
You can request a quote for Ethyl 4-[[2-[1-(4-nitrophenyl)imidazol-2-yl]sulfanylacetyl]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-[[2-[1-(4-nitrophenyl)imidazol-2-yl]sulfanylacetyl]amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[[2-[1-(4-nitrophenyl)imidazol-2-yl]sulfanylacetyl]amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.