4-(2-Cyanoethoxy)-4-oxobut-2-enoic acid
TL;DR: 4-(2-Cyanoethoxy)-4-oxobut-2-enoic acid (CAS 14533-68-7) is a chemical compound with molecular formula C7H7NO4 and molecular weight 169.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-cyanoethoxy)-4-oxobut-2-enoic acid
Also Known As: 4-(2-Cyanoethoxy)-4-oxobut-2-enoic acid, 2-Butenedioic acid (2Z)-, mono(2-cyanoethyl) ester
| Molecular Formula | C7H7NO4 |
|---|---|
| Molecular Weight | 169.04 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 87.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 169.0375 |
| Heavy Atoms | 12 |
| Complexity | 247.0 |
Chemical Identifiers
| CAS Number | 14533-68-7 |
|---|---|
| SMILES | C(COC(=O)C=CC(=O)O)C#N |
| InChIKey | CSRPULGNFIOKDV-UHFFFAOYSA-N |
Product Overview
4-(2-Cyanoethoxy)-4-oxobut-2-enoic acid (CAS 14533-68-7), with molecular formula C7H7NO4 and molecular weight 169.04 g/mol. IUPAC: 4-(2-cyanoethoxy)-4-oxobut-2-enoic acid.
Chemical Property Profile of 4-(2-Cyanoethoxy)-4-oxobut-2-enoic acid
Property Insights of 4-(2-Cyanoethoxy)-4-oxobut-2-enoic acid
The XLogP value of -0.4 indicates that 4-(2-Cyanoethoxy)-4-oxobut-2-enoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 87.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-Cyanoethoxy)-4-oxobut-2-enoic acid. Following Lipinski's Rule of Five, 4-(2-Cyanoethoxy)-4-oxobut-2-enoic acid 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 4-(2-Cyanoethoxy)-4-oxobut-2-enoic acid?
The CAS number of 4-(2-Cyanoethoxy)-4-oxobut-2-enoic acid is 14533-68-7.
What is the molecular formula of 4-(2-Cyanoethoxy)-4-oxobut-2-enoic acid?
The molecular formula of 4-(2-Cyanoethoxy)-4-oxobut-2-enoic acid is C7H7NO4.
What is the molecular weight of 4-(2-Cyanoethoxy)-4-oxobut-2-enoic acid?
The molecular weight of 4-(2-Cyanoethoxy)-4-oxobut-2-enoic acid is 169.04 g/mol.
Where can I buy 4-(2-Cyanoethoxy)-4-oxobut-2-enoic acid?
You can request a quote for 4-(2-Cyanoethoxy)-4-oxobut-2-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-Cyanoethoxy)-4-oxobut-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-Cyanoethoxy)-4-oxobut-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.