Acetic acid, cyano((3-nitrophenyl)hydrazono)-, butyl ester
TL;DR: Acetic acid, cyano((3-nitrophenyl)hydrazono)-, butyl ester (CAS 59062-12-3) is a chemical compound with molecular formula C13H14N4O4 and molecular weight 290.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl (2E)-2-cyano-2-[(3-nitrophenyl)hydrazinylidene]acetate
Also Known As: Cyanoglyoxylic acid butyl ester 2-(m-nitrophenyl)hydrazone, ACETIC ACID, CYANO((3-NITROPHENYL)HYDRAZONO)-, BUTYL ESTER, Glyoxylic acid, cyano-, butyl ester, 2-(m-nitrophenyl)hydrazone, RefChem:1075776, BRN 1826313
| Molecular Formula | C13H14N4O4 |
|---|---|
| Molecular Weight | 290.10 g/mol |
| LogP | 2.22958 |
| Topological Polar Surface Area | 117.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 290.1015 |
| Heavy Atoms | 21 |
| Complexity | 592.0792 |
Chemical Identifiers
| CAS Number | 59062-12-3 |
|---|---|
| SMILES | CCCCOC(=O)/C(=N/NC1=CC(=CC=C1)[N+](=O)[O-])/C#N |
Product Overview
Acetic acid, cyano((3-nitrophenyl)hydrazono)-, butyl ester (CAS 59062-12-3), with molecular formula C13H14N4O4 and molecular weight 290.10 g/mol. IUPAC: butyl (2E)-2-cyano-2-[(3-nitrophenyl)hydrazinylidene]acetate.
Chemical Property Profile of Acetic acid, cyano((3-nitrophenyl)hydrazono)-, butyl ester
Property Insights of Acetic acid, cyano((3-nitrophenyl)hydrazono)-, butyl ester
The XLogP value of 2.22958 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, cyano((3-nitrophenyl)hydrazono)-, butyl ester. The TPSA of 117.62 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid, cyano((3-nitrophenyl)hydrazono)-, butyl ester. Following Lipinski's Rule of Five, Acetic acid, cyano((3-nitrophenyl)hydrazono)-, butyl 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, cyano((3-nitrophenyl)hydrazono)-, butyl ester?
The CAS number of Acetic acid, cyano((3-nitrophenyl)hydrazono)-, butyl ester is 59062-12-3.
What is the molecular formula of Acetic acid, cyano((3-nitrophenyl)hydrazono)-, butyl ester?
The molecular formula of Acetic acid, cyano((3-nitrophenyl)hydrazono)-, butyl ester is C13H14N4O4.
What is the molecular weight of Acetic acid, cyano((3-nitrophenyl)hydrazono)-, butyl ester?
The molecular weight of Acetic acid, cyano((3-nitrophenyl)hydrazono)-, butyl ester is 290.10 g/mol.
Where can I buy Acetic acid, cyano((3-nitrophenyl)hydrazono)-, butyl ester?
You can request a quote for Acetic acid, cyano((3-nitrophenyl)hydrazono)-, butyl 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((3-nitrophenyl)hydrazono)-, butyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, cyano((3-nitrophenyl)hydrazono)-, butyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.