Acetic acid, cyano((4-methylphenyl)hydrazono)-, ethyl ester
TL;DR: Acetic acid, cyano((4-methylphenyl)hydrazono)-, ethyl ester (CAS 93845-47-7) is a chemical compound with molecular formula C12H13N3O2 and molecular weight 231.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2E)-2-cyano-2-[(4-methylphenyl)hydrazinylidene]acetate
Also Known As: Cyanoglyoxylic acid ethyl ester 2-p-tolylhydrazone, ethyl cyano[(4-methylphenyl)hydrazono]acetate, ACETIC ACID, CYANO((4-METHYLPHENYL)HYDRAZONO)-, ETHYL ESTER, Glyoxylic acid, cyano-, ethyl ester, 2-p-tolylhydrazone, ethyl (2E)-cyano[(4-methylphenyl)hydrazono]acetate
| Molecular Formula | C12H13N3O2 |
|---|---|
| Molecular Weight | 231.10 g/mol |
| LogP | 1.8496 |
| Topological Polar Surface Area | 74.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 231.10077 |
| Heavy Atoms | 17 |
| Complexity | 457.63425 |
Chemical Identifiers
| CAS Number | 93845-47-7 |
|---|---|
| SMILES | CCOC(=O)/C(=N/NC1=CC=C(C=C1)C)/C#N |
Product Overview
Acetic acid, cyano((4-methylphenyl)hydrazono)-, ethyl ester (CAS 93845-47-7), with molecular formula C12H13N3O2 and molecular weight 231.10 g/mol. IUPAC: ethyl (2E)-2-cyano-2-[(4-methylphenyl)hydrazinylidene]acetate.
Chemical Property Profile of Acetic acid, cyano((4-methylphenyl)hydrazono)-, ethyl ester
Property Insights of Acetic acid, cyano((4-methylphenyl)hydrazono)-, ethyl ester
The XLogP value of 1.8496 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, cyano((4-methylphenyl)hydrazono)-, ethyl ester. The TPSA of 74.48 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid, cyano((4-methylphenyl)hydrazono)-, ethyl ester. Following Lipinski's Rule of Five, Acetic acid, cyano((4-methylphenyl)hydrazono)-, 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, cyano((4-methylphenyl)hydrazono)-, ethyl ester?
The CAS number of Acetic acid, cyano((4-methylphenyl)hydrazono)-, ethyl ester is 93845-47-7.
What is the molecular formula of Acetic acid, cyano((4-methylphenyl)hydrazono)-, ethyl ester?
The molecular formula of Acetic acid, cyano((4-methylphenyl)hydrazono)-, ethyl ester is C12H13N3O2.
What is the molecular weight of Acetic acid, cyano((4-methylphenyl)hydrazono)-, ethyl ester?
The molecular weight of Acetic acid, cyano((4-methylphenyl)hydrazono)-, ethyl ester is 231.10 g/mol.
Where can I buy Acetic acid, cyano((4-methylphenyl)hydrazono)-, ethyl ester?
You can request a quote for Acetic acid, cyano((4-methylphenyl)hydrazono)-, 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, cyano((4-methylphenyl)hydrazono)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, cyano((4-methylphenyl)hydrazono)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.