富马酸单乙酯
TL;DR: 富马酸单乙酯 (CAS 3249-53-4) is a chemical compound with molecular formula C6H8O4 and molecular weight 144.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
富马酸单乙酯
(E)-4-ethoxy-4-oxobut-2-enoic acid
Also Known As: Monoethyl fumarate, Ethyl fumarate, mono-Ethyl fumarate, Fumaric acid monoethyl ester, Ethyl hydrogen fumarate
| Molecular Formula | C6H8O4 |
|---|---|
| Molecular Weight | 144.04 g/mol |
| LogP | 0.1903 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 144.04225 |
| Heavy Atoms | 10 |
| Complexity | 159.13075 |
Chemical Identifiers
| CAS Number | 3249-53-4 |
|---|---|
| SMILES | CCOC(=O)/C=C/C(=O)O |
Product Overview
富马酸单乙酯 (CAS 3249-53-4), with molecular formula C6H8O4 and molecular weight 144.04 g/mol. IUPAC: (E)-4-ethoxy-4-oxobut-2-enoic acid.
Chemical Property Profile of 富马酸单乙酯
Property Insights of 富马酸单乙酯
The XLogP value of 0.1903 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 富马酸单乙酯. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 富马酸单乙酯. Following Lipinski's Rule of Five, 富马酸单乙酯 has 1 hydrogen bond donor(s) and 3 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 富马酸单乙酯?
The CAS number of 富马酸单乙酯 is 3249-53-4.
What is the molecular formula of 富马酸单乙酯?
The molecular formula of 富马酸单乙酯 is C6H8O4.
What is the molecular weight of 富马酸单乙酯?
The molecular weight of 富马酸单乙酯 is 144.04 g/mol.
Where can I buy 富马酸单乙酯?
You can request a quote for 富马酸单乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 富马酸单乙酯?
Yes, KEHONG BIO provides custom synthesis services for 富马酸单乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.