Acetic acid, cyano((4-methylphenyl)hydrazono)-, propyl ester
TL;DR: Acetic acid, cyano((4-methylphenyl)hydrazono)-, propyl ester (CAS 59061-96-0) is a chemical compound with molecular formula C13H15N3O2 and molecular weight 245.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl (2E)-2-cyano-2-[(4-methylphenyl)hydrazinylidene]acetate
Also Known As: Cyanoglyoxylic acid propyl ester 2-p-tolylhydrazone, ACETIC ACID, CYANO((4-METHYLPHENYL)HYDRAZONO)-, PROPYL ESTER, Glyoxylic acid, cyano-, propyl ester, 2-p-tolylhydrazone, RefChem:1075780
| Molecular Formula | C13H15N3O2 |
|---|---|
| Molecular Weight | 245.12 g/mol |
| LogP | 2.2397 |
| Topological Polar Surface Area | 74.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 245.11642 |
| Heavy Atoms | 18 |
| Complexity | 472.00488 |
Chemical Identifiers
| CAS Number | 59061-96-0 |
|---|---|
| SMILES | CCCOC(=O)/C(=N/NC1=CC=C(C=C1)C)/C#N |
Product Overview
Acetic acid, cyano((4-methylphenyl)hydrazono)-, propyl ester (CAS 59061-96-0), with molecular formula C13H15N3O2 and molecular weight 245.12 g/mol. IUPAC: propyl (2E)-2-cyano-2-[(4-methylphenyl)hydrazinylidene]acetate.
Chemical Property Profile of Acetic acid, cyano((4-methylphenyl)hydrazono)-, propyl ester
Property Insights of Acetic acid, cyano((4-methylphenyl)hydrazono)-, propyl ester
The XLogP value of 2.2397 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, cyano((4-methylphenyl)hydrazono)-, propyl ester. The TPSA of 74.48 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid, cyano((4-methylphenyl)hydrazono)-, propyl ester. Following Lipinski's Rule of Five, Acetic acid, cyano((4-methylphenyl)hydrazono)-, propyl 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)-, propyl ester?
The CAS number of Acetic acid, cyano((4-methylphenyl)hydrazono)-, propyl ester is 59061-96-0.
What is the molecular formula of Acetic acid, cyano((4-methylphenyl)hydrazono)-, propyl ester?
The molecular formula of Acetic acid, cyano((4-methylphenyl)hydrazono)-, propyl ester is C13H15N3O2.
What is the molecular weight of Acetic acid, cyano((4-methylphenyl)hydrazono)-, propyl ester?
The molecular weight of Acetic acid, cyano((4-methylphenyl)hydrazono)-, propyl ester is 245.12 g/mol.
Where can I buy Acetic acid, cyano((4-methylphenyl)hydrazono)-, propyl ester?
You can request a quote for Acetic acid, cyano((4-methylphenyl)hydrazono)-, propyl 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)-, propyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, cyano((4-methylphenyl)hydrazono)-, propyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.