Phenyl Fumarate
TL;DR: Phenyl Fumarate (CAS 58163-27-2) is a chemical compound with molecular formula C10H8O4 and molecular weight 192.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-oxo-4-phenoxybut-2-enoic acid
Also Known As: Phenyl Fumarate, phenyl hydrogen fumarate, Fumaric acid 1-phenyl ester, fumaric acid monophenyl ester, 4-oxo-4-phenoxybut-2-enoic acid
| Molecular Formula | C10H8O4 |
|---|---|
| Molecular Weight | 192.04 g/mol |
| LogP | 1.2328 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 192.04225 |
| Heavy Atoms | 14 |
| Complexity | 353.64456 |
Chemical Identifiers
| CAS Number | 58163-27-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC(=O)/C=C/C(=O)O |
Product Overview
Phenyl Fumarate (CAS 58163-27-2), with molecular formula C10H8O4 and molecular weight 192.04 g/mol. IUPAC: (E)-4-oxo-4-phenoxybut-2-enoic acid.
Chemical Property Profile of Phenyl Fumarate
Property Insights of Phenyl Fumarate
The XLogP value of 1.2328 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenyl Fumarate. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenyl Fumarate. Following Lipinski's Rule of Five, Phenyl Fumarate 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 Phenyl Fumarate?
The CAS number of Phenyl Fumarate is 58163-27-2.
What is the molecular formula of Phenyl Fumarate?
The molecular formula of Phenyl Fumarate is C10H8O4.
What is the molecular weight of Phenyl Fumarate?
The molecular weight of Phenyl Fumarate is 192.04 g/mol.
Where can I buy Phenyl Fumarate?
You can request a quote for Phenyl Fumarate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenyl Fumarate?
Yes, KEHONG BIO provides custom synthesis services for Phenyl Fumarate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.