Fumaric acid, bis(2-aminoethyl) ester, dihydrochloride
TL;DR: Fumaric acid, bis(2-aminoethyl) ester, dihydrochloride (CAS 4126-70-9) is a chemical compound with molecular formula C8H16Cl2N2O4 and molecular weight 274.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(Z)-4-(2-azaniumylethoxy)-4-oxobut-2-enoyl]oxyethylazanium dichloride
Also Known As: Bis(2-aminoethyl)fumarate dihydrochloride, FUMARIC ACID, BIS(2-AMINOETHYL) ESTER, DIHYDROCHLORIDE, Fumaric acid, bis(2-aminoethyl) ester dihydrochloride, Fumaricacid,bis(2-aminoethyl)ester dihydrochloride(7ci,8ci), Fumaricacid, bis(2-aminoethyl) ester dihydrochloride (7CI,8CI)
| Molecular Formula | C8H16Cl2N2O4 |
|---|---|
| Molecular Weight | 274.05 g/mol |
| LogP | -8.8792 |
| Topological Polar Surface Area | 107.88 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 274.0487 |
| Heavy Atoms | 16 |
| Complexity | 202.08385 |
Chemical Identifiers
| CAS Number | 4126-70-9 |
|---|---|
| SMILES | C(COC(=O)/C=C\C(=O)OCC[NH3+])[NH3+].[Cl-].[Cl-] |
Product Overview
Fumaric acid, bis(2-aminoethyl) ester, dihydrochloride (CAS 4126-70-9), with molecular formula C8H16Cl2N2O4 and molecular weight 274.05 g/mol. IUPAC: 2-[(Z)-4-(2-azaniumylethoxy)-4-oxobut-2-enoyl]oxyethylazanium dichloride.
Chemical Property Profile of Fumaric acid, bis(2-aminoethyl) ester, dihydrochloride
Property Insights of Fumaric acid, bis(2-aminoethyl) ester, dihydrochloride
The XLogP value of -8.8792 indicates that Fumaric acid, bis(2-aminoethyl) ester, dihydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 107.88 Ų falls within the moderate polarity range, balancing permeability and solubility for Fumaric acid, bis(2-aminoethyl) ester, dihydrochloride. Following Lipinski's Rule of Five, Fumaric acid, bis(2-aminoethyl) ester, dihydrochloride has 2 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 Fumaric acid, bis(2-aminoethyl) ester, dihydrochloride?
The CAS number of Fumaric acid, bis(2-aminoethyl) ester, dihydrochloride is 4126-70-9.
What is the molecular formula of Fumaric acid, bis(2-aminoethyl) ester, dihydrochloride?
The molecular formula of Fumaric acid, bis(2-aminoethyl) ester, dihydrochloride is C8H16Cl2N2O4.
What is the molecular weight of Fumaric acid, bis(2-aminoethyl) ester, dihydrochloride?
The molecular weight of Fumaric acid, bis(2-aminoethyl) ester, dihydrochloride is 274.05 g/mol.
Where can I buy Fumaric acid, bis(2-aminoethyl) ester, dihydrochloride?
You can request a quote for Fumaric acid, bis(2-aminoethyl) ester, dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Fumaric acid, bis(2-aminoethyl) ester, dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Fumaric acid, bis(2-aminoethyl) ester, dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.