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Diethyl 2-[(carbamoylamino)methylidene]propanedioate
TL;DR: Diethyl 2-[(carbamoylamino)methylidene]propanedioate (CAS 61679-84-3) is a chemical compound with molecular formula C9H14N2O5 and molecular weight 230.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[(carbamoylamino)methylidene]propanedioate
Also Known As: Diethyl 2-(ureidomethylene)malonate, Diethyl-2-(ureidomethylene)malonate, Diethyl2-(ureidomethylene)malonate, diethyl 2-[(carbamoylamino)methylidene]propanedioate, diethyl {[(aminocarbonyl)amino]methylene}malonate
| Molecular Formula | C9H14N2O5 |
|---|---|
| Molecular Weight | 230.09 g/mol |
| LogP | -0.3352 |
| Topological Polar Surface Area | 107.72 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 230.09027 |
| Heavy Atoms | 16 |
| Complexity | 291.0212 |
Chemical Identifiers
| CAS Number | 61679-84-3 |
|---|---|
| SMILES | CCOC(=O)C(=CNC(=O)N)C(=O)OCC |
Product Overview
Diethyl 2-[(carbamoylamino)methylidene]propanedioate (CAS 61679-84-3), with molecular formula C9H14N2O5 and molecular weight 230.09 g/mol. IUPAC: diethyl 2-[(carbamoylamino)methylidene]propanedioate.
Chemical Property Profile of Diethyl 2-[(carbamoylamino)methylidene]propanedioate
Property Insights of Diethyl 2-[(carbamoylamino)methylidene]propanedioate
The XLogP value of -0.3352 indicates that Diethyl 2-[(carbamoylamino)methylidene]propanedioate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 107.72 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2-[(carbamoylamino)methylidene]propanedioate. Following Lipinski's Rule of Five, Diethyl 2-[(carbamoylamino)methylidene]propanedioate has 2 hydrogen bond donor(s) and 5 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 2-[(carbamoylamino)methylidene]propanedioate?
The CAS number of Diethyl 2-[(carbamoylamino)methylidene]propanedioate is 61679-84-3.
What is the molecular formula of Diethyl 2-[(carbamoylamino)methylidene]propanedioate?
The molecular formula of Diethyl 2-[(carbamoylamino)methylidene]propanedioate is C9H14N2O5.
What is the molecular weight of Diethyl 2-[(carbamoylamino)methylidene]propanedioate?
The molecular weight of Diethyl 2-[(carbamoylamino)methylidene]propanedioate is 230.09 g/mol.
Where can I buy Diethyl 2-[(carbamoylamino)methylidene]propanedioate?
You can request a quote for Diethyl 2-[(carbamoylamino)methylidene]propanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2-[(carbamoylamino)methylidene]propanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-[(carbamoylamino)methylidene]propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.