2-Diethylaminoethyl 3,4,5-trimethoxyphenoxyacetate hydrogen maleate
TL;DR: 2-Diethylaminoethyl 3,4,5-trimethoxyphenoxyacetate hydrogen maleate (CAS 65876-34-8) is a chemical compound with molecular formula C21H31NO10 and molecular weight 457.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl-[2-[2-(3,4,5-trimethoxyphenoxy)acetyl]oxyethyl]azanium;(Z)-4-hydroxy-4-oxobut-2-enoate
Also Known As: 2-Diethylaminoethyl 3,4,5-trimethoxyphenoxyacetate hydrogen maleate, (3,4,5-Trimethoxyphenoxy)acetic acid 2-(diethylamino)ethyl ester maleate, Acetic acid, (3,4,5-trimethoxyphenoxy)-, 2-(diethylamino)ethyl ester, (Z)-2-butenedioate (1:1), diethyl-[2-[2-(3,4,5-trimethoxyphenoxy)acetyl]oxyethyl]azanium; (Z)-4-hydroxy-4-oxobut-2-enoate
| Molecular Formula | C21H31NO10 |
|---|---|
| Molecular Weight | 457.19 g/mol |
| LogP | -1.0638 |
| Topological Polar Surface Area | 145.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 13 |
| Exact Mass | 457.1948 |
| Heavy Atoms | 32 |
| Complexity | 717.9424 |
Chemical Identifiers
| CAS Number | 65876-34-8 |
|---|---|
| SMILES | CC[NH+](CC)CCOC(=O)COC1=CC(=C(C(=C1)OC)OC)OC.C(=C\C(=O)[O-])\C(=O)O |
Product Overview
2-Diethylaminoethyl 3,4,5-trimethoxyphenoxyacetate hydrogen maleate (CAS 65876-34-8), with molecular formula C21H31NO10 and molecular weight 457.19 g/mol. IUPAC: diethyl-[2-[2-(3,4,5-trimethoxyphenoxy)acetyl]oxyethyl]azanium;(Z)-4-hydroxy-4-oxobut-2-enoate.
Chemical Property Profile of 2-Diethylaminoethyl 3,4,5-trimethoxyphenoxyacetate hydrogen maleate
Property Insights of 2-Diethylaminoethyl 3,4,5-trimethoxyphenoxyacetate hydrogen maleate
The XLogP value of -1.0638 indicates that 2-Diethylaminoethyl 3,4,5-trimethoxyphenoxyacetate hydrogen maleate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 145.09 Ų indicates high polarity, suggesting 2-Diethylaminoethyl 3,4,5-trimethoxyphenoxyacetate hydrogen maleate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-Diethylaminoethyl 3,4,5-trimethoxyphenoxyacetate hydrogen maleate has 2 hydrogen bond donor(s) and 9 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 2-Diethylaminoethyl 3,4,5-trimethoxyphenoxyacetate hydrogen maleate?
The CAS number of 2-Diethylaminoethyl 3,4,5-trimethoxyphenoxyacetate hydrogen maleate is 65876-34-8.
What is the molecular formula of 2-Diethylaminoethyl 3,4,5-trimethoxyphenoxyacetate hydrogen maleate?
The molecular formula of 2-Diethylaminoethyl 3,4,5-trimethoxyphenoxyacetate hydrogen maleate is C21H31NO10.
What is the molecular weight of 2-Diethylaminoethyl 3,4,5-trimethoxyphenoxyacetate hydrogen maleate?
The molecular weight of 2-Diethylaminoethyl 3,4,5-trimethoxyphenoxyacetate hydrogen maleate is 457.19 g/mol.
Where can I buy 2-Diethylaminoethyl 3,4,5-trimethoxyphenoxyacetate hydrogen maleate?
You can request a quote for 2-Diethylaminoethyl 3,4,5-trimethoxyphenoxyacetate hydrogen maleate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Diethylaminoethyl 3,4,5-trimethoxyphenoxyacetate hydrogen maleate?
Yes, KEHONG BIO provides custom synthesis services for 2-Diethylaminoethyl 3,4,5-trimethoxyphenoxyacetate hydrogen maleate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.