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Acetic acid, [(4-bromophenyl)hydrazono]cyano-, ethyl ester
TL;DR: Acetic acid, [(4-bromophenyl)hydrazono]cyano-, ethyl ester (CAS 3994-25-0) is a chemical compound with molecular formula C11H10BrN3O2 and molecular weight 295.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(4-bromophenyl)hydrazinylidene]-2-cyanoacetate
Also Known As: ethyl 2-[(4-bromophenyl)hydrazinylidene]-2-cyanoacetate, Acetic acid, [(4-bromophenyl)hydrazono]cyano-, ethyl ester, Acetic acid,[(4-bromophenyl)hydrazono]cyano-,ethyl ester, Ethyl [2-(4-bromophenyl)hydrazinylidene](cyano)acetate
| Molecular Formula | C11H10BrN3O2 |
|---|---|
| Molecular Weight | 295.00 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 74.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 294.99564 |
| Heavy Atoms | 17 |
| Complexity | 340.0 |
Chemical Identifiers
| CAS Number | 3994-25-0 |
|---|---|
| SMILES | CCOC(=O)C(=NNC1=CC=C(C=C1)Br)C#N |
| InChIKey | MIIDWYHCQGZJDD-UHFFFAOYSA-N |
Product Overview
Acetic acid, [(4-bromophenyl)hydrazono]cyano-, ethyl ester (CAS 3994-25-0), with molecular formula C11H10BrN3O2 and molecular weight 295.00 g/mol. IUPAC: ethyl 2-[(4-bromophenyl)hydrazinylidene]-2-cyanoacetate.
Chemical Property Profile of Acetic acid, [(4-bromophenyl)hydrazono]cyano-, ethyl ester
Property Insights of Acetic acid, [(4-bromophenyl)hydrazono]cyano-, ethyl ester
The XLogP value of 3.3 indicates that Acetic acid, [(4-bromophenyl)hydrazono]cyano-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid, [(4-bromophenyl)hydrazono]cyano-, ethyl ester. Following Lipinski's Rule of Five, Acetic acid, [(4-bromophenyl)hydrazono]cyano-, ethyl ester has 1 hydrogen bond donor(s) and 5 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 Acetic acid, [(4-bromophenyl)hydrazono]cyano-, ethyl ester?
The CAS number of Acetic acid, [(4-bromophenyl)hydrazono]cyano-, ethyl ester is 3994-25-0.
What is the molecular formula of Acetic acid, [(4-bromophenyl)hydrazono]cyano-, ethyl ester?
The molecular formula of Acetic acid, [(4-bromophenyl)hydrazono]cyano-, ethyl ester is C11H10BrN3O2.
What is the molecular weight of Acetic acid, [(4-bromophenyl)hydrazono]cyano-, ethyl ester?
The molecular weight of Acetic acid, [(4-bromophenyl)hydrazono]cyano-, ethyl ester is 295.00 g/mol.
Where can I buy Acetic acid, [(4-bromophenyl)hydrazono]cyano-, ethyl ester?
You can request a quote for Acetic acid, [(4-bromophenyl)hydrazono]cyano-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, [(4-bromophenyl)hydrazono]cyano-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, [(4-bromophenyl)hydrazono]cyano-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.