Diethyl (carboxymethylamino)methylenemalonate
TL;DR: Diethyl (carboxymethylamino)methylenemalonate (CAS 54132-81-9) is a chemical compound with molecular formula C10H15NO6 and molecular weight 245.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-ethoxy-2-ethoxycarbonyl-3-oxoprop-1-enyl)amino]acetic acid
Also Known As: DIETHYL (CARBOXYMETHYLAMINO)METHYLENEMALONATE, MixCom6_001534, 2-(2,2-Di(ethoxycarbonyl)vinylamino)acetic acid, Diethyl(carboxymethylamino)methylenemalonate, BIM-0031304.P001
| Molecular Formula | C10H15NO6 |
|---|---|
| Molecular Weight | 245.09 g/mol |
| LogP | -0.3293 |
| Topological Polar Surface Area | 101.93 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 245.08994 |
| Heavy Atoms | 17 |
| Complexity | 302.7578 |
Chemical Identifiers
| CAS Number | 54132-81-9 |
|---|---|
| SMILES | CCOC(=O)C(=CNCC(=O)O)C(=O)OCC |
Product Overview
Diethyl (carboxymethylamino)methylenemalonate (CAS 54132-81-9), with molecular formula C10H15NO6 and molecular weight 245.09 g/mol. IUPAC: 2-[(3-ethoxy-2-ethoxycarbonyl-3-oxoprop-1-enyl)amino]acetic acid.
Chemical Property Profile of Diethyl (carboxymethylamino)methylenemalonate
Property Insights of Diethyl (carboxymethylamino)methylenemalonate
The XLogP value of -0.3293 indicates that Diethyl (carboxymethylamino)methylenemalonate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 101.93 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl (carboxymethylamino)methylenemalonate. Following Lipinski's Rule of Five, Diethyl (carboxymethylamino)methylenemalonate has 2 hydrogen bond donor(s) and 6 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 Diethyl (carboxymethylamino)methylenemalonate?
The CAS number of Diethyl (carboxymethylamino)methylenemalonate is 54132-81-9.
What is the molecular formula of Diethyl (carboxymethylamino)methylenemalonate?
The molecular formula of Diethyl (carboxymethylamino)methylenemalonate is C10H15NO6.
What is the molecular weight of Diethyl (carboxymethylamino)methylenemalonate?
The molecular weight of Diethyl (carboxymethylamino)methylenemalonate is 245.09 g/mol.
Where can I buy Diethyl (carboxymethylamino)methylenemalonate?
You can request a quote for Diethyl (carboxymethylamino)methylenemalonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl (carboxymethylamino)methylenemalonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl (carboxymethylamino)methylenemalonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.