马来酸二丁酯
TL;DR: 马来酸二丁酯 (CAS 105-76-0) is a chemical compound with molecular formula C12H20O4 and molecular weight 228.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
马来酸二丁酯
dibutyl but-2-enedioate
Also Known As: DIBUTYL MALEATE, DIBUTYL FUMARATE, dibutylmaleat-, dibutyl but-2-enedioate, Dibutylmaleate
| Molecular Formula | C12H20O4 |
|---|---|
| Molecular Weight | 228.14 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 228.13615 |
| Heavy Atoms | 16 |
| Complexity | 209.0 |
Chemical Identifiers
| CAS Number | 105-76-0 |
|---|---|
| SMILES | CCCCOC(=O)C=CC(=O)OCCCC |
| InChIKey | JBSLOWBPDRZSMB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
马来酸二丁酯 (CAS 105-76-0), with molecular formula C12H20O4 and molecular weight 228.14 g/mol. IUPAC: dibutyl but-2-enedioate.
Chemical Property Profile of 马来酸二丁酯
Property Insights of 马来酸二丁酯
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 马来酸二丁酯. With a topological polar surface area (TPSA) of 52.6 Ų, 马来酸二丁酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 马来酸二丁酯 has 0 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 马来酸二丁酯?
The CAS number of 马来酸二丁酯 is 105-76-0.
What is the molecular formula of 马来酸二丁酯?
The molecular formula of 马来酸二丁酯 is C12H20O4.
What is the molecular weight of 马来酸二丁酯?
The molecular weight of 马来酸二丁酯 is 228.14 g/mol.
Where can I buy 马来酸二丁酯?
You can request a quote for 马来酸二丁酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 马来酸二丁酯?
Yes, KEHONG BIO provides custom synthesis services for 马来酸二丁酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.