2-Butenedioic acid (2E)-, butyl 2-hydroxyethyl ester
TL;DR: 2-Butenedioic acid (2E)-, butyl 2-hydroxyethyl ester (CAS 3207-09-8) is a chemical compound with molecular formula C10H16O5 and molecular weight 216.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-O-butyl 4-O-(2-hydroxyethyl) but-2-enedioate
Also Known As: Butyl hydroxyethyl fumarate, 2-Butenedioic acid (2E)-, butyl 2-hydroxyethyl ester, 1-O-butyl 4-O-(2-hydroxyethyl) but-2-enedioate, 2-Butenedioic acid(2Z)-, butyl 2-hydroxyethyl ester (9CI)
| Molecular Formula | C10H16O5 |
|---|---|
| Molecular Weight | 216.10 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 216.09978 |
| Heavy Atoms | 15 |
| Complexity | 222.0 |
Chemical Identifiers
| CAS Number | 3207-09-8 |
|---|---|
| SMILES | CCCCOC(=O)C=CC(=O)OCCO |
| InChIKey | PUDIPIBJWKQFNR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Butenedioic acid (2E)-, butyl 2-hydroxyethyl ester (CAS 3207-09-8), with molecular formula C10H16O5 and molecular weight 216.10 g/mol. IUPAC: 1-O-butyl 4-O-(2-hydroxyethyl) but-2-enedioate.
Chemical Property Profile of 2-Butenedioic acid (2E)-, butyl 2-hydroxyethyl ester
Property Insights of 2-Butenedioic acid (2E)-, butyl 2-hydroxyethyl ester
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butenedioic acid (2E)-, butyl 2-hydroxyethyl ester. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Butenedioic acid (2E)-, butyl 2-hydroxyethyl ester. Following Lipinski's Rule of Five, 2-Butenedioic acid (2E)-, butyl 2-hydroxyethyl 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 2-Butenedioic acid (2E)-, butyl 2-hydroxyethyl ester?
The CAS number of 2-Butenedioic acid (2E)-, butyl 2-hydroxyethyl ester is 3207-09-8.
What is the molecular formula of 2-Butenedioic acid (2E)-, butyl 2-hydroxyethyl ester?
The molecular formula of 2-Butenedioic acid (2E)-, butyl 2-hydroxyethyl ester is C10H16O5.
What is the molecular weight of 2-Butenedioic acid (2E)-, butyl 2-hydroxyethyl ester?
The molecular weight of 2-Butenedioic acid (2E)-, butyl 2-hydroxyethyl ester is 216.10 g/mol.
Where can I buy 2-Butenedioic acid (2E)-, butyl 2-hydroxyethyl ester?
You can request a quote for 2-Butenedioic acid (2E)-, butyl 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)-, butyl 2-hydroxyethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Butenedioic acid (2E)-, butyl 2-hydroxyethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.