Acetic acid, ((3-chloro-4-nitrophenyl)hydrazono)cyano-, ethyl ester
TL;DR: Acetic acid, ((3-chloro-4-nitrophenyl)hydrazono)cyano-, ethyl ester (CAS 59061-94-8) is a chemical compound with molecular formula C11H9ClN4O4 and molecular weight 296.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2Z)-2-[(3-chloro-4-nitrophenyl)hydrazinylidene]-2-cyanoacetate
Also Known As: ACETIC ACID, ((3-CHLORO-4-NITROPHENYL)HYDRAZONO)CYANO-, ETHYL ESTER, Cyanoglyoxylic acid ethyl ester 2-(3-chloro-4-nitrophenyl)hydrazone, Glyoxylic acid, cyano-, ethyl ester, 2-(3-chloro-4-nitrophenyl)hydrazone, ethyl (2Z)-2-[(3-chloro-4-nitrophenyl)hydrazinylidene]-2-cyanoacetate, RefChem:1075518
| Molecular Formula | C11H9ClN4O4 |
|---|---|
| Molecular Weight | 296.03 g/mol |
| LogP | 2.10278 |
| Topological Polar Surface Area | 117.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 296.03122 |
| Heavy Atoms | 20 |
| Complexity | 608.93097 |
Chemical Identifiers
| CAS Number | 59061-94-8 |
|---|---|
| SMILES | CCOC(=O)/C(=N\NC1=CC(=C(C=C1)[N+](=O)[O-])Cl)/C#N |
Product Overview
Acetic acid, ((3-chloro-4-nitrophenyl)hydrazono)cyano-, ethyl ester (CAS 59061-94-8), with molecular formula C11H9ClN4O4 and molecular weight 296.03 g/mol. IUPAC: ethyl (2Z)-2-[(3-chloro-4-nitrophenyl)hydrazinylidene]-2-cyanoacetate.
Chemical Property Profile of Acetic acid, ((3-chloro-4-nitrophenyl)hydrazono)cyano-, ethyl ester
Property Insights of Acetic acid, ((3-chloro-4-nitrophenyl)hydrazono)cyano-, ethyl ester
The XLogP value of 2.10278 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, ((3-chloro-4-nitrophenyl)hydrazono)cyano-, ethyl ester. The TPSA of 117.62 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid, ((3-chloro-4-nitrophenyl)hydrazono)cyano-, ethyl ester. Following Lipinski's Rule of Five, Acetic acid, ((3-chloro-4-nitrophenyl)hydrazono)cyano-, ethyl ester has 1 hydrogen bond donor(s) and 7 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, ((3-chloro-4-nitrophenyl)hydrazono)cyano-, ethyl ester?
The CAS number of Acetic acid, ((3-chloro-4-nitrophenyl)hydrazono)cyano-, ethyl ester is 59061-94-8.
What is the molecular formula of Acetic acid, ((3-chloro-4-nitrophenyl)hydrazono)cyano-, ethyl ester?
The molecular formula of Acetic acid, ((3-chloro-4-nitrophenyl)hydrazono)cyano-, ethyl ester is C11H9ClN4O4.
What is the molecular weight of Acetic acid, ((3-chloro-4-nitrophenyl)hydrazono)cyano-, ethyl ester?
The molecular weight of Acetic acid, ((3-chloro-4-nitrophenyl)hydrazono)cyano-, ethyl ester is 296.03 g/mol.
Where can I buy Acetic acid, ((3-chloro-4-nitrophenyl)hydrazono)cyano-, ethyl ester?
You can request a quote for Acetic acid, ((3-chloro-4-nitrophenyl)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, ((3-chloro-4-nitrophenyl)hydrazono)cyano-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, ((3-chloro-4-nitrophenyl)hydrazono)cyano-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.