富马酸单甲酯
TL;DR: 富马酸单甲酯 (CAS 2756-87-8) is a chemical compound with molecular formula C5H6O4 and molecular weight 130.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
富马酸单甲酯
4-methoxy-4-oxobut-2-enoic acid
Also Known As: Monomethyl fumarate, Monomethyl maleate, Bafiertam, mono-Methyl fumarate, Fumaric acid monomethyl ester
| Molecular Formula | C5H6O4 |
|---|---|
| Molecular Weight | 130.03 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 130.02661 |
| Heavy Atoms | 9 |
| Complexity | 147.0 |
Chemical Identifiers
| CAS Number | 2756-87-8 |
|---|---|
| SMILES | COC(=O)C=CC(=O)O |
| InChIKey | NKHAVTQWNUWKEO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
富马酸单甲酯 (CAS 2756-87-8), with molecular formula C5H6O4 and molecular weight 130.03 g/mol. IUPAC: 4-methoxy-4-oxobut-2-enoic acid.
Chemical Property Profile of 富马酸单甲酯
Property Insights of 富马酸单甲酯
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 富马酸单甲酯. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 富马酸单甲酯. Following Lipinski's Rule of Five, 富马酸单甲酯 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 富马酸单甲酯?
The CAS number of 富马酸单甲酯 is 2756-87-8.
What is the molecular formula of 富马酸单甲酯?
The molecular formula of 富马酸单甲酯 is C5H6O4.
What is the molecular weight of 富马酸单甲酯?
The molecular weight of 富马酸单甲酯 is 130.03 g/mol.
Where can I buy 富马酸单甲酯?
You can request a quote for 富马酸单甲酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 富马酸单甲酯?
Yes, KEHONG BIO provides custom synthesis services for 富马酸单甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.