![Ethyl 4-[({5-nitro-2-thienyl}methylene)amino]benzoate structure](/static/products/304/304667-01-4.png)
Ethyl 4-[({5-nitro-2-thienyl}methylene)amino]benzoate
TL;DR: Ethyl 4-[({5-nitro-2-thienyl}methylene)amino]benzoate (CAS 304667-01-4) is a chemical compound with molecular formula C14H12N2O4S and molecular weight 304.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(5-nitrothiophen-2-yl)methylideneamino]benzoate
Also Known As: ethyl 4-[({5-nitro-2-thienyl}methylene)amino]benzoate, ethyl 4-{[(5-nitro-2-thienyl)methylene]amino}benzoate, ethyl 4-[(5-nitrothiophen-2-yl)methylideneamino]benzoate, ethyl 4-[(1E)-2-(5-nitro(2-thienyl))-1-azavinyl]benzoate, Benzoic acid, 4-[(5-nitro-2-thienylmethylene)amino]-, ethyl ester
| Molecular Formula | C14H12N2O4S |
|---|---|
| Molecular Weight | 304.05 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 304.0518 |
| Heavy Atoms | 21 |
| Complexity | 402.0 |
Chemical Identifiers
| CAS Number | 304667-01-4 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N=CC2=CC=C(S2)[N+](=O)[O-] |
| InChIKey | UHLOGHNSWGANRG-UHFFFAOYSA-N |
Product Overview
Ethyl 4-[({5-nitro-2-thienyl}methylene)amino]benzoate (CAS 304667-01-4), with molecular formula C14H12N2O4S and molecular weight 304.05 g/mol. IUPAC: ethyl 4-[(5-nitrothiophen-2-yl)methylideneamino]benzoate.
Chemical Property Profile of Ethyl 4-[({5-nitro-2-thienyl}methylene)amino]benzoate
Property Insights of Ethyl 4-[({5-nitro-2-thienyl}methylene)amino]benzoate
The XLogP value of 3.6 indicates that Ethyl 4-[({5-nitro-2-thienyl}methylene)amino]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-[({5-nitro-2-thienyl}methylene)amino]benzoate. Following Lipinski's Rule of Five, Ethyl 4-[({5-nitro-2-thienyl}methylene)amino]benzoate has 0 hydrogen bond donor(s) and 6 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-[({5-nitro-2-thienyl}methylene)amino]benzoate?
The CAS number of Ethyl 4-[({5-nitro-2-thienyl}methylene)amino]benzoate is 304667-01-4.
What is the molecular formula of Ethyl 4-[({5-nitro-2-thienyl}methylene)amino]benzoate?
The molecular formula of Ethyl 4-[({5-nitro-2-thienyl}methylene)amino]benzoate is C14H12N2O4S.
What is the molecular weight of Ethyl 4-[({5-nitro-2-thienyl}methylene)amino]benzoate?
The molecular weight of Ethyl 4-[({5-nitro-2-thienyl}methylene)amino]benzoate is 304.05 g/mol.
Where can I buy Ethyl 4-[({5-nitro-2-thienyl}methylene)amino]benzoate?
You can request a quote for Ethyl 4-[({5-nitro-2-thienyl}methylene)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-[({5-nitro-2-thienyl}methylene)amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[({5-nitro-2-thienyl}methylene)amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.