![ethyl 2-{2-[(E)-N'-[(4-nitrophenyl)methoxy]imidamido]-1,3-thiazol-4-yl}benzoate structure](/static/products/3390/339010-25-2.webp)
ethyl 2-{2-[(E)-N'-[(4-nitrophenyl)methoxy]imidamido]-1,3-thiazol-4-yl}benzoate
TL;DR: ethyl 2-{2-[(E)-N'-[(4-nitrophenyl)methoxy]imidamido]-1,3-thiazol-4-yl}benzoate (CAS 339010-25-2) 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 2-[2-[[(4-nitrophenyl)methoxyamino]methylideneamino]-1,3-thiazol-4-yl]benzoate
Also Known As: Ethyl 2-[2-[[(4-nitrophenyl)methoxyamino]methylideneamino]-1,3-thiazol-4-yl]benzoate, ethyl 2-{2-[({[(4-nitrobenzyl)oxy]imino}methyl)amino]-1,3-thiazol-4-yl}benzenecarboxylate, ethyl 2-{2-[(E)-N'-[(4-nitrophenyl)methoxy]imidamido]-1,3-thiazol-4-yl}benzoate
| Molecular Formula | C20H18N4O5S |
|---|---|
| Molecular Weight | 426.10 g/mol |
| LogP | 4.2762 |
| Topological Polar Surface Area | 115.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 426.0998 |
| Heavy Atoms | 30 |
| Complexity | 1049.3602 |
Chemical Identifiers
| CAS Number | 339010-25-2 |
|---|---|
| SMILES | CCOC(=O)C1=CC=CC=C1C2=CSC(=N2)N=CNOCC3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
ethyl 2-{2-[(E)-N'-[(4-nitrophenyl)methoxy]imidamido]-1,3-thiazol-4-yl}benzoate (CAS 339010-25-2), with molecular formula C20H18N4O5S and molecular weight 426.10 g/mol. IUPAC: ethyl 2-[2-[[(4-nitrophenyl)methoxyamino]methylideneamino]-1,3-thiazol-4-yl]benzoate.
Chemical Property Profile of ethyl 2-{2-[(E)-N'-[(4-nitrophenyl)methoxy]imidamido]-1,3-thiazol-4-yl}benzoate
Property Insights of ethyl 2-{2-[(E)-N'-[(4-nitrophenyl)methoxy]imidamido]-1,3-thiazol-4-yl}benzoate
The XLogP value of 4.2762 indicates that ethyl 2-{2-[(E)-N'-[(4-nitrophenyl)methoxy]imidamido]-1,3-thiazol-4-yl}benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.95 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-{2-[(E)-N'-[(4-nitrophenyl)methoxy]imidamido]-1,3-thiazol-4-yl}benzoate. Following Lipinski's Rule of Five, ethyl 2-{2-[(E)-N'-[(4-nitrophenyl)methoxy]imidamido]-1,3-thiazol-4-yl}benzoate has 1 hydrogen bond donor(s) and 8 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 2-{2-[(E)-N'-[(4-nitrophenyl)methoxy]imidamido]-1,3-thiazol-4-yl}benzoate?
The CAS number of ethyl 2-{2-[(E)-N'-[(4-nitrophenyl)methoxy]imidamido]-1,3-thiazol-4-yl}benzoate is 339010-25-2.
What is the molecular formula of ethyl 2-{2-[(E)-N'-[(4-nitrophenyl)methoxy]imidamido]-1,3-thiazol-4-yl}benzoate?
The molecular formula of ethyl 2-{2-[(E)-N'-[(4-nitrophenyl)methoxy]imidamido]-1,3-thiazol-4-yl}benzoate is C20H18N4O5S.
What is the molecular weight of ethyl 2-{2-[(E)-N'-[(4-nitrophenyl)methoxy]imidamido]-1,3-thiazol-4-yl}benzoate?
The molecular weight of ethyl 2-{2-[(E)-N'-[(4-nitrophenyl)methoxy]imidamido]-1,3-thiazol-4-yl}benzoate is 426.10 g/mol.
Where can I buy ethyl 2-{2-[(E)-N'-[(4-nitrophenyl)methoxy]imidamido]-1,3-thiazol-4-yl}benzoate?
You can request a quote for ethyl 2-{2-[(E)-N'-[(4-nitrophenyl)methoxy]imidamido]-1,3-thiazol-4-yl}benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-{2-[(E)-N'-[(4-nitrophenyl)methoxy]imidamido]-1,3-thiazol-4-yl}benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-{2-[(E)-N'-[(4-nitrophenyl)methoxy]imidamido]-1,3-thiazol-4-yl}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.