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Ethyl 2-[2-(2-nitrophenyl)hydrazin-1-ylidene]propanoate
TL;DR: Ethyl 2-[2-(2-nitrophenyl)hydrazin-1-ylidene]propanoate (CAS 6954-88-7) is a chemical compound with molecular formula C11H13N3O4 and molecular weight 251.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(2-nitrophenyl)hydrazinylidene]propanoate
Also Known As: NCIOpen2_003347, Ethyl 2-(O-nitrophenylhydrazono)propanoate, Ethyl 2-(o-nitrophenylhydrazono)propionate, ethyl 2-[2-(2-nitrophenyl)hydrazinylidene]propanoate, ethyl 2-[(2-nitrophenyl)hydrazinylidene]propanoate
| Molecular Formula | C11H13N3O4 |
|---|---|
| Molecular Weight | 251.09 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 96.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 251.0906 |
| Heavy Atoms | 18 |
| Complexity | 338.0 |
Chemical Identifiers
| CAS Number | 6954-88-7 |
|---|---|
| SMILES | CCOC(=O)C(=NNC1=CC=CC=C1[N+](=O)[O-])C |
| InChIKey | SVMLUPDEOYWXDG-UHFFFAOYSA-N |
Product Overview
Ethyl 2-[2-(2-nitrophenyl)hydrazin-1-ylidene]propanoate (CAS 6954-88-7), with molecular formula C11H13N3O4 and molecular weight 251.09 g/mol. IUPAC: ethyl 2-[(2-nitrophenyl)hydrazinylidene]propanoate.
Chemical Property Profile of Ethyl 2-[2-(2-nitrophenyl)hydrazin-1-ylidene]propanoate
Property Insights of Ethyl 2-[2-(2-nitrophenyl)hydrazin-1-ylidene]propanoate
The XLogP value of 4.2 indicates that Ethyl 2-[2-(2-nitrophenyl)hydrazin-1-ylidene]propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-[2-(2-nitrophenyl)hydrazin-1-ylidene]propanoate. Following Lipinski's Rule of Five, Ethyl 2-[2-(2-nitrophenyl)hydrazin-1-ylidene]propanoate has 1 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 2-[2-(2-nitrophenyl)hydrazin-1-ylidene]propanoate?
The CAS number of Ethyl 2-[2-(2-nitrophenyl)hydrazin-1-ylidene]propanoate is 6954-88-7.
What is the molecular formula of Ethyl 2-[2-(2-nitrophenyl)hydrazin-1-ylidene]propanoate?
The molecular formula of Ethyl 2-[2-(2-nitrophenyl)hydrazin-1-ylidene]propanoate is C11H13N3O4.
What is the molecular weight of Ethyl 2-[2-(2-nitrophenyl)hydrazin-1-ylidene]propanoate?
The molecular weight of Ethyl 2-[2-(2-nitrophenyl)hydrazin-1-ylidene]propanoate is 251.09 g/mol.
Where can I buy Ethyl 2-[2-(2-nitrophenyl)hydrazin-1-ylidene]propanoate?
You can request a quote for Ethyl 2-[2-(2-nitrophenyl)hydrazin-1-ylidene]propanoate 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-(2-nitrophenyl)hydrazin-1-ylidene]propanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-[2-(2-nitrophenyl)hydrazin-1-ylidene]propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.