(2Z)-2-丁烯二酸丁酯
TL;DR: (2Z)-2-丁烯二酸丁酯 (CAS 68186-71-0) is a chemical compound with molecular formula C8H12O4 and molecular weight 172.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2Z)-2-丁烯二酸丁酯
4-butoxy-4-oxobut-2-enoic acid
Also Known As: Monobutyl maleate, Monobutyl fumarate, mono-Butyl maleate, BUTYL FUMARATE MONO, MONO-BUTYL FUMARATE
| Molecular Formula | C8H12O4 |
|---|---|
| Molecular Weight | 172.07 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 172.07356 |
| Heavy Atoms | 12 |
| Complexity | 183.0 |
Chemical Identifiers
| CAS Number | 68186-71-0 |
|---|---|
| SMILES | CCCCOC(=O)C=CC(=O)O |
| InChIKey | UTOVMEACOLCUCK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(2Z)-2-丁烯二酸丁酯 (CAS 68186-71-0), with molecular formula C8H12O4 and molecular weight 172.07 g/mol. IUPAC: 4-butoxy-4-oxobut-2-enoic acid.
Chemical Property Profile of (2Z)-2-丁烯二酸丁酯
Property Insights of (2Z)-2-丁烯二酸丁酯
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2Z)-2-丁烯二酸丁酯. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (2Z)-2-丁烯二酸丁酯. Following Lipinski's Rule of Five, (2Z)-2-丁烯二酸丁酯 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 (2Z)-2-丁烯二酸丁酯?
The CAS number of (2Z)-2-丁烯二酸丁酯 is 68186-71-0.
What is the molecular formula of (2Z)-2-丁烯二酸丁酯?
The molecular formula of (2Z)-2-丁烯二酸丁酯 is C8H12O4.
What is the molecular weight of (2Z)-2-丁烯二酸丁酯?
The molecular weight of (2Z)-2-丁烯二酸丁酯 is 172.07 g/mol.
Where can I buy (2Z)-2-丁烯二酸丁酯?
You can request a quote for (2Z)-2-丁烯二酸丁酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2Z)-2-丁烯二酸丁酯?
Yes, KEHONG BIO provides custom synthesis services for (2Z)-2-丁烯二酸丁酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.