Dimethyl 2-(((aminocarbonyl)amino)methylene)malonate
TL;DR: Dimethyl 2-(((aminocarbonyl)amino)methylene)malonate (CAS 65696-20-0) is a chemical compound with molecular formula C7H10N2O5 and molecular weight 202.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-[(carbamoylamino)methylidene]propanedioate
Also Known As: methyl ureidomethylenemalonate, dimethyl 2-(ureidomethylene)propanedioate, NCI60_004570, Dimethyl 2-(((aminocarbonyl)amino)methylene)malonate, dimethyl 2-[(carbamoylamino)methylidene]propanedioate
| Molecular Formula | C7H10N2O5 |
|---|---|
| Molecular Weight | 202.06 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 202.05898 |
| Heavy Atoms | 14 |
| Complexity | 266.0 |
Chemical Identifiers
| CAS Number | 65696-20-0 |
|---|---|
| SMILES | COC(=O)C(=CNC(=O)N)C(=O)OC |
| InChIKey | PTKRGAVEBHILFL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dimethyl 2-(((aminocarbonyl)amino)methylene)malonate (CAS 65696-20-0), with molecular formula C7H10N2O5 and molecular weight 202.06 g/mol. IUPAC: dimethyl 2-[(carbamoylamino)methylidene]propanedioate.
Chemical Property Profile of Dimethyl 2-(((aminocarbonyl)amino)methylene)malonate
Property Insights of Dimethyl 2-(((aminocarbonyl)amino)methylene)malonate
The XLogP value of -0.4 indicates that Dimethyl 2-(((aminocarbonyl)amino)methylene)malonate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 2-(((aminocarbonyl)amino)methylene)malonate. Following Lipinski's Rule of Five, Dimethyl 2-(((aminocarbonyl)amino)methylene)malonate 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 Dimethyl 2-(((aminocarbonyl)amino)methylene)malonate?
The CAS number of Dimethyl 2-(((aminocarbonyl)amino)methylene)malonate is 65696-20-0.
What is the molecular formula of Dimethyl 2-(((aminocarbonyl)amino)methylene)malonate?
The molecular formula of Dimethyl 2-(((aminocarbonyl)amino)methylene)malonate is C7H10N2O5.
What is the molecular weight of Dimethyl 2-(((aminocarbonyl)amino)methylene)malonate?
The molecular weight of Dimethyl 2-(((aminocarbonyl)amino)methylene)malonate is 202.06 g/mol.
Where can I buy Dimethyl 2-(((aminocarbonyl)amino)methylene)malonate?
You can request a quote for Dimethyl 2-(((aminocarbonyl)amino)methylene)malonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 2-(((aminocarbonyl)amino)methylene)malonate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2-(((aminocarbonyl)amino)methylene)malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.