![Ethyl 4-{[3-(methoxyamino)-2-nitroprop-2-en-1-ylidene]amino}benzoate structure](/static/products/3384/338422-90-5.webp)
Ethyl 4-{[3-(methoxyamino)-2-nitroprop-2-en-1-ylidene]amino}benzoate
TL;DR: Ethyl 4-{[3-(methoxyamino)-2-nitroprop-2-en-1-ylidene]amino}benzoate (CAS 338422-90-5) is a chemical compound with molecular formula C13H15N3O5 and molecular weight 293.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[3-(methoxyamino)-2-nitroprop-2-enylidene]amino]benzoate
Also Known As: ethyl 4-{[3-(methoxyamino)-2-nitroprop-2-en-1-ylidene]amino}benzoate, Ethyl 4-[[3-(methoxyamino)-2-nitro-prop-2-enylidene]amino]benzoate, ethyl 4-[[3-(methoxyamino)-2-nitroprop-2-enylidene]amino]benzoate, ethyl 4-{[(1E,3E)-3-(methoxyimino)-2-nitroprop-1-en-1-yl]amino}benzoate, ethyl 4-{[3-(methoxyimino)-2-nitro-1-propenyl]amino}benzenecarboxylate
| Molecular Formula | C13H15N3O5 |
|---|---|
| Molecular Weight | 293.10 g/mol |
| LogP | 1.8347 |
| Topological Polar Surface Area | 103.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 293.10117 |
| Heavy Atoms | 21 |
| Complexity | 551.4301 |
Chemical Identifiers
| CAS Number | 338422-90-5 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N=CC(=CNOC)[N+](=O)[O-] |
Product Overview
Ethyl 4-{[3-(methoxyamino)-2-nitroprop-2-en-1-ylidene]amino}benzoate (CAS 338422-90-5), with molecular formula C13H15N3O5 and molecular weight 293.10 g/mol. IUPAC: ethyl 4-[[3-(methoxyamino)-2-nitroprop-2-enylidene]amino]benzoate.
Chemical Property Profile of Ethyl 4-{[3-(methoxyamino)-2-nitroprop-2-en-1-ylidene]amino}benzoate
Property Insights of Ethyl 4-{[3-(methoxyamino)-2-nitroprop-2-en-1-ylidene]amino}benzoate
The XLogP value of 1.8347 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-{[3-(methoxyamino)-2-nitroprop-2-en-1-ylidene]amino}benzoate. The TPSA of 103.06 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-{[3-(methoxyamino)-2-nitroprop-2-en-1-ylidene]amino}benzoate. Following Lipinski's Rule of Five, Ethyl 4-{[3-(methoxyamino)-2-nitroprop-2-en-1-ylidene]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-{[3-(methoxyamino)-2-nitroprop-2-en-1-ylidene]amino}benzoate?
The CAS number of Ethyl 4-{[3-(methoxyamino)-2-nitroprop-2-en-1-ylidene]amino}benzoate is 338422-90-5.
What is the molecular formula of Ethyl 4-{[3-(methoxyamino)-2-nitroprop-2-en-1-ylidene]amino}benzoate?
The molecular formula of Ethyl 4-{[3-(methoxyamino)-2-nitroprop-2-en-1-ylidene]amino}benzoate is C13H15N3O5.
What is the molecular weight of Ethyl 4-{[3-(methoxyamino)-2-nitroprop-2-en-1-ylidene]amino}benzoate?
The molecular weight of Ethyl 4-{[3-(methoxyamino)-2-nitroprop-2-en-1-ylidene]amino}benzoate is 293.10 g/mol.
Where can I buy Ethyl 4-{[3-(methoxyamino)-2-nitroprop-2-en-1-ylidene]amino}benzoate?
You can request a quote for Ethyl 4-{[3-(methoxyamino)-2-nitroprop-2-en-1-ylidene]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-{[3-(methoxyamino)-2-nitroprop-2-en-1-ylidene]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-{[3-(methoxyamino)-2-nitroprop-2-en-1-ylidene]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.