Ethyl (1,2-bis{3-nitrobenzoyl}hydrazino)acetate
TL;DR: Ethyl (1,2-bis{3-nitrobenzoyl}hydrazino)acetate (CAS 328014-80-8) is a chemical compound with molecular formula C18H16N4O8 and molecular weight 416.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(3-nitrobenzoyl)-[(3-nitrobenzoyl)amino]amino]acetate
Also Known As: ethyl (1,2-bis{3-nitrobenzoyl}hydrazino)acetate, ethyl [1,2-bis(3-nitrobenzoyl)hydrazino]acetate, AH-034/11365047, A0610/0028240, ethyl 2-[(3-nitrobenzoyl)-[(3-nitrobenzoyl)amino]amino]acetate
| Molecular Formula | C18H16N4O8 |
|---|---|
| Molecular Weight | 416.10 g/mol |
| LogP | 1.8533 |
| Topological Polar Surface Area | 161.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 416.0968 |
| Heavy Atoms | 30 |
| Complexity | 1007.18585 |
Chemical Identifiers
| CAS Number | 328014-80-8 |
|---|---|
| SMILES | CCOC(=O)CN(C(=O)C1=CC(=CC=C1)[N+](=O)[O-])NC(=O)C2=CC(=CC=C2)[N+](=O)[O-] |
Product Overview
Ethyl (1,2-bis{3-nitrobenzoyl}hydrazino)acetate (CAS 328014-80-8), with molecular formula C18H16N4O8 and molecular weight 416.10 g/mol. IUPAC: ethyl 2-[(3-nitrobenzoyl)-[(3-nitrobenzoyl)amino]amino]acetate.
Chemical Property Profile of Ethyl (1,2-bis{3-nitrobenzoyl}hydrazino)acetate
Property Insights of Ethyl (1,2-bis{3-nitrobenzoyl}hydrazino)acetate
The XLogP value of 1.8533 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl (1,2-bis{3-nitrobenzoyl}hydrazino)acetate. The TPSA of 161.99 Ų indicates high polarity, suggesting Ethyl (1,2-bis{3-nitrobenzoyl}hydrazino)acetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ethyl (1,2-bis{3-nitrobenzoyl}hydrazino)acetate 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 (1,2-bis{3-nitrobenzoyl}hydrazino)acetate?
The CAS number of Ethyl (1,2-bis{3-nitrobenzoyl}hydrazino)acetate is 328014-80-8.
What is the molecular formula of Ethyl (1,2-bis{3-nitrobenzoyl}hydrazino)acetate?
The molecular formula of Ethyl (1,2-bis{3-nitrobenzoyl}hydrazino)acetate is C18H16N4O8.
What is the molecular weight of Ethyl (1,2-bis{3-nitrobenzoyl}hydrazino)acetate?
The molecular weight of Ethyl (1,2-bis{3-nitrobenzoyl}hydrazino)acetate is 416.10 g/mol.
Where can I buy Ethyl (1,2-bis{3-nitrobenzoyl}hydrazino)acetate?
You can request a quote for Ethyl (1,2-bis{3-nitrobenzoyl}hydrazino)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl (1,2-bis{3-nitrobenzoyl}hydrazino)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl (1,2-bis{3-nitrobenzoyl}hydrazino)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.