4-(2,2-Dimethoxyethylamino)-4-oxobut-2-enoic acid
TL;DR: 4-(2,2-Dimethoxyethylamino)-4-oxobut-2-enoic acid (CAS 76619-99-3) is a chemical compound with molecular formula C8H13NO5 and molecular weight 203.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,2-dimethoxyethylamino)-4-oxobut-2-enoic acid
Also Known As: N-(2,2-Dimethoxyethyl)maleamic acid, 3-(2,2-dimethoxyethylcarbamoyl)prop-2-enoic Acid, 4-(2,2-dimethoxyethylamino)-4-oxobut-2-enoic acid
| Molecular Formula | C8H13NO5 |
|---|---|
| Molecular Weight | 203.08 g/mol |
| LogP | -0.6377 |
| Topological Polar Surface Area | 84.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 203.07938 |
| Heavy Atoms | 14 |
| Complexity | 221.77153 |
Chemical Identifiers
| CAS Number | 76619-99-3 |
|---|---|
| SMILES | COC(CNC(=O)C=CC(=O)O)OC |
Product Overview
4-(2,2-Dimethoxyethylamino)-4-oxobut-2-enoic acid (CAS 76619-99-3), with molecular formula C8H13NO5 and molecular weight 203.08 g/mol. IUPAC: 4-(2,2-dimethoxyethylamino)-4-oxobut-2-enoic acid.
Chemical Property Profile of 4-(2,2-Dimethoxyethylamino)-4-oxobut-2-enoic acid
Property Insights of 4-(2,2-Dimethoxyethylamino)-4-oxobut-2-enoic acid
The XLogP value of -0.6377 indicates that 4-(2,2-Dimethoxyethylamino)-4-oxobut-2-enoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 84.86 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2,2-Dimethoxyethylamino)-4-oxobut-2-enoic acid. Following Lipinski's Rule of Five, 4-(2,2-Dimethoxyethylamino)-4-oxobut-2-enoic acid 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 4-(2,2-Dimethoxyethylamino)-4-oxobut-2-enoic acid?
The CAS number of 4-(2,2-Dimethoxyethylamino)-4-oxobut-2-enoic acid is 76619-99-3.
What is the molecular formula of 4-(2,2-Dimethoxyethylamino)-4-oxobut-2-enoic acid?
The molecular formula of 4-(2,2-Dimethoxyethylamino)-4-oxobut-2-enoic acid is C8H13NO5.
What is the molecular weight of 4-(2,2-Dimethoxyethylamino)-4-oxobut-2-enoic acid?
The molecular weight of 4-(2,2-Dimethoxyethylamino)-4-oxobut-2-enoic acid is 203.08 g/mol.
Where can I buy 4-(2,2-Dimethoxyethylamino)-4-oxobut-2-enoic acid?
You can request a quote for 4-(2,2-Dimethoxyethylamino)-4-oxobut-2-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2,2-Dimethoxyethylamino)-4-oxobut-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(2,2-Dimethoxyethylamino)-4-oxobut-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.