2-丁烯二酸(2Z)-单-2-丙烯酯
TL;DR: 2-丁烯二酸(2Z)-单-2-丙烯酯 (CAS 2424-58-0) is a chemical compound with molecular formula C7H8O4 and molecular weight 156.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-丁烯二酸(2Z)-单-2-丙烯酯
4-oxo-4-prop-2-enoxybut-2-enoic acid
Also Known As: Allyl hydrogen maleate, Maleic acid, monoallyl ester, 4-allyloxy-4-oxo-but-2-enoic acid, 4-oxo-4-prop-2-enoxybut-2-enoic acid, 2-Butenedioic acid (2Z)-, mono-2-propenyl ester
| Molecular Formula | C7H8O4 |
|---|---|
| Molecular Weight | 156.04 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 156.04225 |
| Heavy Atoms | 11 |
| Complexity | 193.0 |
Chemical Identifiers
| CAS Number | 2424-58-0 |
|---|---|
| SMILES | C=CCOC(=O)C=CC(=O)O |
| InChIKey | PEKZMKOVRVVTTN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-丁烯二酸(2Z)-单-2-丙烯酯 (CAS 2424-58-0), with molecular formula C7H8O4 and molecular weight 156.04 g/mol. IUPAC: 4-oxo-4-prop-2-enoxybut-2-enoic acid.
Chemical Property Profile of 2-丁烯二酸(2Z)-单-2-丙烯酯
Property Insights of 2-丁烯二酸(2Z)-单-2-丙烯酯
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-丁烯二酸(2Z)-单-2-丙烯酯. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-丁烯二酸(2Z)-单-2-丙烯酯. Following Lipinski's Rule of Five, 2-丁烯二酸(2Z)-单-2-丙烯酯 has 1 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-丁烯二酸(2Z)-单-2-丙烯酯?
The CAS number of 2-丁烯二酸(2Z)-单-2-丙烯酯 is 2424-58-0.
What is the molecular formula of 2-丁烯二酸(2Z)-单-2-丙烯酯?
The molecular formula of 2-丁烯二酸(2Z)-单-2-丙烯酯 is C7H8O4.
What is the molecular weight of 2-丁烯二酸(2Z)-单-2-丙烯酯?
The molecular weight of 2-丁烯二酸(2Z)-单-2-丙烯酯 is 156.04 g/mol.
Where can I buy 2-丁烯二酸(2Z)-单-2-丙烯酯?
You can request a quote for 2-丁烯二酸(2Z)-单-2-丙烯酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-丁烯二酸(2Z)-单-2-丙烯酯?
Yes, KEHONG BIO provides custom synthesis services for 2-丁烯二酸(2Z)-单-2-丙烯酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.