2-Butenedioic acid (2E)-, 1-(2-hydroxyethyl) ester
TL;DR: 2-Butenedioic acid (2E)-, 1-(2-hydroxyethyl) ester (CAS 25779-93-5) is a chemical compound with molecular formula C6H8O5 and molecular weight 160.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-(2-hydroxyethoxy)-4-oxobut-2-enoic acid
Also Known As: EINECS 247-260-3, (2-Hydroxyethyl) hydrogen fumarate, Maleic acid, 2-hydroxyethyl ester, 2-Butenedioic acid (2E)-, 1-(2-hydroxyethyl) ester, Fumaric acid 1-(2-hydroxyethyl) ester
| Molecular Formula | C6H8O5 |
|---|---|
| Molecular Weight | 160.04 g/mol |
| LogP | -0.8373 |
| Topological Polar Surface Area | 83.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 160.03717 |
| Heavy Atoms | 11 |
| Complexity | 171.81146 |
Chemical Identifiers
| CAS Number | 25779-93-5 |
|---|---|
| SMILES | C(COC(=O)/C=C/C(=O)O)O |
Product Overview
2-Butenedioic acid (2E)-, 1-(2-hydroxyethyl) ester (CAS 25779-93-5), with molecular formula C6H8O5 and molecular weight 160.04 g/mol. IUPAC: (E)-4-(2-hydroxyethoxy)-4-oxobut-2-enoic acid.
Chemical Property Profile of 2-Butenedioic acid (2E)-, 1-(2-hydroxyethyl) ester
Property Insights of 2-Butenedioic acid (2E)-, 1-(2-hydroxyethyl) ester
The XLogP value of -0.8373 indicates that 2-Butenedioic acid (2E)-, 1-(2-hydroxyethyl) ester is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 83.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Butenedioic acid (2E)-, 1-(2-hydroxyethyl) ester. Following Lipinski's Rule of Five, 2-Butenedioic acid (2E)-, 1-(2-hydroxyethyl) ester has 2 hydrogen bond donor(s) and 4 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 2-Butenedioic acid (2E)-, 1-(2-hydroxyethyl) ester?
The CAS number of 2-Butenedioic acid (2E)-, 1-(2-hydroxyethyl) ester is 25779-93-5.
What is the molecular formula of 2-Butenedioic acid (2E)-, 1-(2-hydroxyethyl) ester?
The molecular formula of 2-Butenedioic acid (2E)-, 1-(2-hydroxyethyl) ester is C6H8O5.
What is the molecular weight of 2-Butenedioic acid (2E)-, 1-(2-hydroxyethyl) ester?
The molecular weight of 2-Butenedioic acid (2E)-, 1-(2-hydroxyethyl) ester is 160.04 g/mol.
Where can I buy 2-Butenedioic acid (2E)-, 1-(2-hydroxyethyl) ester?
You can request a quote for 2-Butenedioic acid (2E)-, 1-(2-hydroxyethyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butenedioic acid (2E)-, 1-(2-hydroxyethyl) ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Butenedioic acid (2E)-, 1-(2-hydroxyethyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.