Acetic acid, ((4-chlorophenyl)hydrazono)cyano-, 1-methylethyl ester
TL;DR: Acetic acid, ((4-chlorophenyl)hydrazono)cyano-, 1-methylethyl ester (CAS 59062-04-3) is a chemical compound with molecular formula C12H12ClN3O2 and molecular weight 265.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl (2Z)-2-[(4-chlorophenyl)hydrazinylidene]-2-cyanoacetate
Also Known As: Cyanoglyoxylic acid isopropyl ester 2-(p-chlorophenyl)hydrazone, ACETIC ACID, ((4-CHLOROPHENYL)HYDRAZONO)CYANO-, 1-METHYLETHYL ESTER, Glyoxylic acid, cyano-, isopropyl ester, 2-(p-chlorophenyl)hydrazone, propan-2-yl (2Z)-2-[(4-chlorophenyl)hydrazinylidene]-2-cyanoacetate, RefChem:1075532
| Molecular Formula | C12H12ClN3O2 |
|---|---|
| Molecular Weight | 265.06 g/mol |
| LogP | 2.58308 |
| Topological Polar Surface Area | 74.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 265.0618 |
| Heavy Atoms | 18 |
| Complexity | 489.03915 |
Chemical Identifiers
| CAS Number | 59062-04-3 |
|---|---|
| SMILES | CC(C)OC(=O)/C(=N\NC1=CC=C(C=C1)Cl)/C#N |
Product Overview
Acetic acid, ((4-chlorophenyl)hydrazono)cyano-, 1-methylethyl ester (CAS 59062-04-3), with molecular formula C12H12ClN3O2 and molecular weight 265.06 g/mol. IUPAC: propan-2-yl (2Z)-2-[(4-chlorophenyl)hydrazinylidene]-2-cyanoacetate.
Chemical Property Profile of Acetic acid, ((4-chlorophenyl)hydrazono)cyano-, 1-methylethyl ester
Property Insights of Acetic acid, ((4-chlorophenyl)hydrazono)cyano-, 1-methylethyl ester
The XLogP value of 2.58308 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, ((4-chlorophenyl)hydrazono)cyano-, 1-methylethyl ester. The TPSA of 74.48 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid, ((4-chlorophenyl)hydrazono)cyano-, 1-methylethyl ester. Following Lipinski's Rule of Five, Acetic acid, ((4-chlorophenyl)hydrazono)cyano-, 1-methylethyl 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-chlorophenyl)hydrazono)cyano-, 1-methylethyl ester?
The CAS number of Acetic acid, ((4-chlorophenyl)hydrazono)cyano-, 1-methylethyl ester is 59062-04-3.
What is the molecular formula of Acetic acid, ((4-chlorophenyl)hydrazono)cyano-, 1-methylethyl ester?
The molecular formula of Acetic acid, ((4-chlorophenyl)hydrazono)cyano-, 1-methylethyl ester is C12H12ClN3O2.
What is the molecular weight of Acetic acid, ((4-chlorophenyl)hydrazono)cyano-, 1-methylethyl ester?
The molecular weight of Acetic acid, ((4-chlorophenyl)hydrazono)cyano-, 1-methylethyl ester is 265.06 g/mol.
Where can I buy Acetic acid, ((4-chlorophenyl)hydrazono)cyano-, 1-methylethyl ester?
You can request a quote for Acetic acid, ((4-chlorophenyl)hydrazono)cyano-, 1-methylethyl 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-chlorophenyl)hydrazono)cyano-, 1-methylethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, ((4-chlorophenyl)hydrazono)cyano-, 1-methylethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.