![Ethyl 4-{[(2E)-3-({2-amino-6-[(ethoxycarbonyl)amino]-3-nitropyridin-4-yl}amino)-2-(hydroxyimino)propyl]amino}benzoate structure](/static/products/307/30768-44-6.png)
Ethyl 4-{[(2E)-3-({2-amino-6-[(ethoxycarbonyl)amino]-3-nitropyridin-4-yl}amino)-2-(hydroxyimino)propyl]amino}benzoate
TL;DR: Ethyl 4-{[(2E)-3-({2-amino-6-[(ethoxycarbonyl)amino]-3-nitropyridin-4-yl}amino)-2-(hydroxyimino)propyl]amino}benzoate (CAS 30768-44-6) is a chemical compound with molecular formula C20H25N7O7 and molecular weight 475.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[(2E)-3-[[2-amino-6-(ethoxycarbonylamino)-3-nitro-4-pyridinyl]amino]-2-hydroxyiminopropyl]amino]benzoate
Also Known As: Ethyl 4-{[(2E)-3-({2-amino-6-[(ethoxycarbonyl)amino]-3-nitropyridin-4-yl}amino)-2-(hydroxyimino)propyl]amino}benzoate
| Molecular Formula | C20H25N7O7 |
|---|---|
| Molecular Weight | 475.18 g/mol |
| LogP | 2.6713 |
| Topological Polar Surface Area | 203.33 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 11 |
| Exact Mass | 475.18155 |
| Heavy Atoms | 34 |
| Complexity | 1057.9812 |
Chemical Identifiers
| CAS Number | 30768-44-6 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC/C(=N\O)/CNC2=CC(=NC(=C2[N+](=O)[O-])N)NC(=O)OCC |
Product Overview
Ethyl 4-{[(2E)-3-({2-amino-6-[(ethoxycarbonyl)amino]-3-nitropyridin-4-yl}amino)-2-(hydroxyimino)propyl]amino}benzoate (CAS 30768-44-6), with molecular formula C20H25N7O7 and molecular weight 475.18 g/mol. IUPAC: ethyl 4-[[(2E)-3-[[2-amino-6-(ethoxycarbonylamino)-3-nitro-4-pyridinyl]amino]-2-hydroxyiminopropyl]amino]benzoate.
Chemical Property Profile of Ethyl 4-{[(2E)-3-({2-amino-6-[(ethoxycarbonyl)amino]-3-nitropyridin-4-yl}amino)-2-(hydroxyimino)propyl]amino}benzoate
Property Insights of Ethyl 4-{[(2E)-3-({2-amino-6-[(ethoxycarbonyl)amino]-3-nitropyridin-4-yl}amino)-2-(hydroxyimino)propyl]amino}benzoate
The XLogP value of 2.6713 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-{[(2E)-3-({2-amino-6-[(ethoxycarbonyl)amino]-3-nitropyridin-4-yl}amino)-2-(hydroxyimino)propyl]amino}benzoate. The TPSA of 203.33 Ų indicates high polarity, suggesting Ethyl 4-{[(2E)-3-({2-amino-6-[(ethoxycarbonyl)amino]-3-nitropyridin-4-yl}amino)-2-(hydroxyimino)propyl]amino}benzoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ethyl 4-{[(2E)-3-({2-amino-6-[(ethoxycarbonyl)amino]-3-nitropyridin-4-yl}amino)-2-(hydroxyimino)propyl]amino}benzoate has 5 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 4-{[(2E)-3-({2-amino-6-[(ethoxycarbonyl)amino]-3-nitropyridin-4-yl}amino)-2-(hydroxyimino)propyl]amino}benzoate?
The CAS number of Ethyl 4-{[(2E)-3-({2-amino-6-[(ethoxycarbonyl)amino]-3-nitropyridin-4-yl}amino)-2-(hydroxyimino)propyl]amino}benzoate is 30768-44-6.
What is the molecular formula of Ethyl 4-{[(2E)-3-({2-amino-6-[(ethoxycarbonyl)amino]-3-nitropyridin-4-yl}amino)-2-(hydroxyimino)propyl]amino}benzoate?
The molecular formula of Ethyl 4-{[(2E)-3-({2-amino-6-[(ethoxycarbonyl)amino]-3-nitropyridin-4-yl}amino)-2-(hydroxyimino)propyl]amino}benzoate is C20H25N7O7.
What is the molecular weight of Ethyl 4-{[(2E)-3-({2-amino-6-[(ethoxycarbonyl)amino]-3-nitropyridin-4-yl}amino)-2-(hydroxyimino)propyl]amino}benzoate?
The molecular weight of Ethyl 4-{[(2E)-3-({2-amino-6-[(ethoxycarbonyl)amino]-3-nitropyridin-4-yl}amino)-2-(hydroxyimino)propyl]amino}benzoate is 475.18 g/mol.
Where can I buy Ethyl 4-{[(2E)-3-({2-amino-6-[(ethoxycarbonyl)amino]-3-nitropyridin-4-yl}amino)-2-(hydroxyimino)propyl]amino}benzoate?
You can request a quote for Ethyl 4-{[(2E)-3-({2-amino-6-[(ethoxycarbonyl)amino]-3-nitropyridin-4-yl}amino)-2-(hydroxyimino)propyl]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-{[(2E)-3-({2-amino-6-[(ethoxycarbonyl)amino]-3-nitropyridin-4-yl}amino)-2-(hydroxyimino)propyl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-{[(2E)-3-({2-amino-6-[(ethoxycarbonyl)amino]-3-nitropyridin-4-yl}amino)-2-(hydroxyimino)propyl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.