Ethyl 4-(2-acetylhydrazinyl)-3-nitrobenzoate
TL;DR: Ethyl 4-(2-acetylhydrazinyl)-3-nitrobenzoate (CAS 335390-52-8) is a chemical compound with molecular formula C11H13N3O5 and molecular weight 267.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(2-acetylhydrazinyl)-3-nitrobenzoate
Also Known As: ethyl 4-(2-acetylhydrazinyl)-3-nitrobenzoate, ethyl 4-(2-acetylhydrazino)-3-nitrobenzoate, BAS 02799540, ethyl 4-[(acetylamino)amino]-3-nitrobenzoate, 4-(N'-Acetyl-hydrazino)-3-nitro-benzoic acid ethyl ester
| Molecular Formula | C11H13N3O5 |
|---|---|
| Molecular Weight | 267.09 g/mol |
| LogP | 1.2345 |
| Topological Polar Surface Area | 110.57 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 267.0855 |
| Heavy Atoms | 19 |
| Complexity | 515.0522 |
Chemical Identifiers
| CAS Number | 335390-52-8 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=C(C=C1)NNC(=O)C)[N+](=O)[O-] |
Product Overview
Ethyl 4-(2-acetylhydrazinyl)-3-nitrobenzoate (CAS 335390-52-8), with molecular formula C11H13N3O5 and molecular weight 267.09 g/mol. IUPAC: ethyl 4-(2-acetylhydrazinyl)-3-nitrobenzoate.
Chemical Property Profile of Ethyl 4-(2-acetylhydrazinyl)-3-nitrobenzoate
Property Insights of Ethyl 4-(2-acetylhydrazinyl)-3-nitrobenzoate
The XLogP value of 1.2345 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-(2-acetylhydrazinyl)-3-nitrobenzoate. The TPSA of 110.57 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-(2-acetylhydrazinyl)-3-nitrobenzoate. Following Lipinski's Rule of Five, Ethyl 4-(2-acetylhydrazinyl)-3-nitrobenzoate has 2 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-(2-acetylhydrazinyl)-3-nitrobenzoate?
The CAS number of Ethyl 4-(2-acetylhydrazinyl)-3-nitrobenzoate is 335390-52-8.
What is the molecular formula of Ethyl 4-(2-acetylhydrazinyl)-3-nitrobenzoate?
The molecular formula of Ethyl 4-(2-acetylhydrazinyl)-3-nitrobenzoate is C11H13N3O5.
What is the molecular weight of Ethyl 4-(2-acetylhydrazinyl)-3-nitrobenzoate?
The molecular weight of Ethyl 4-(2-acetylhydrazinyl)-3-nitrobenzoate is 267.09 g/mol.
Where can I buy Ethyl 4-(2-acetylhydrazinyl)-3-nitrobenzoate?
You can request a quote for Ethyl 4-(2-acetylhydrazinyl)-3-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-(2-acetylhydrazinyl)-3-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(2-acetylhydrazinyl)-3-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.