Butyl glycidyl fumarate
TL;DR: Butyl glycidyl fumarate (CAS 25876-07-7) is a chemical compound with molecular formula C11H16O5 and molecular weight 228.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-O-butyl 4-O-(oxiran-2-ylmethyl) (Z)-but-2-enedioate
Also Known As: Butyl glycidyl fumarate, Butyl 2,3-epoxypropyl fumarate, FUMARIC ACID, BUTYL 2,3-EPOXYPROPYL ESTER, 2-Butenedioic acid (E)-, butyl oxiranylmethyl ester, Fumaric acid 1-butyl 4-(oxiran-2-yl)methyl ester
| Molecular Formula | C11H16O5 |
|---|---|
| Molecular Weight | 228.10 g/mol |
| LogP | 0.8279 |
| Topological Polar Surface Area | 65.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 228.09978 |
| Heavy Atoms | 16 |
| Complexity | 267.5485 |
Chemical Identifiers
| CAS Number | 25876-07-7 |
|---|---|
| SMILES | CCCCOC(=O)/C=C\C(=O)OCC1CO1 |
Product Overview
Butyl glycidyl fumarate (CAS 25876-07-7), with molecular formula C11H16O5 and molecular weight 228.10 g/mol. IUPAC: 1-O-butyl 4-O-(oxiran-2-ylmethyl) (Z)-but-2-enedioate.
Chemical Property Profile of Butyl glycidyl fumarate
Property Insights of Butyl glycidyl fumarate
The XLogP value of 0.8279 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyl glycidyl fumarate. The TPSA of 65.13 Ų falls within the moderate polarity range, balancing permeability and solubility for Butyl glycidyl fumarate. Following Lipinski's Rule of Five, Butyl glycidyl fumarate has 0 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 Butyl glycidyl fumarate?
The CAS number of Butyl glycidyl fumarate is 25876-07-7.
What is the molecular formula of Butyl glycidyl fumarate?
The molecular formula of Butyl glycidyl fumarate is C11H16O5.
What is the molecular weight of Butyl glycidyl fumarate?
The molecular weight of Butyl glycidyl fumarate is 228.10 g/mol.
Where can I buy Butyl glycidyl fumarate?
You can request a quote for Butyl glycidyl fumarate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl glycidyl fumarate?
Yes, KEHONG BIO provides custom synthesis services for Butyl glycidyl fumarate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.