Ethyl 2-cyano-3-ureidoacrylate
TL;DR: Ethyl 2-cyano-3-ureidoacrylate (CAS 61679-83-2) is a chemical compound with molecular formula C7H9N3O3 and molecular weight 183.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(carbamoylamino)-2-cyanoprop-2-enoate
Also Known As: ethyl 2-cyano-3-ureidoacrylate, 2-cyano-3-ureido-acrylic acid ethylester, ethyl 3-(carbamoylamino)-2-cyanoprop-2-enoate, ethyl (E)-3-(carbamoylamino)-2-cyanoprop-2-enoate
| Molecular Formula | C7H9N3O3 |
|---|---|
| Molecular Weight | 183.06 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 183.06439 |
| Heavy Atoms | 13 |
| Complexity | 287.0 |
Chemical Identifiers
| CAS Number | 61679-83-2 |
|---|---|
| SMILES | CCOC(=O)C(=CNC(=O)N)C#N |
| InChIKey | OYNQLVPJARAAPD-UHFFFAOYSA-N |
Product Overview
Ethyl 2-cyano-3-ureidoacrylate (CAS 61679-83-2), with molecular formula C7H9N3O3 and molecular weight 183.06 g/mol. IUPAC: ethyl 3-(carbamoylamino)-2-cyanoprop-2-enoate.
Chemical Property Profile of Ethyl 2-cyano-3-ureidoacrylate
Property Insights of Ethyl 2-cyano-3-ureidoacrylate
The XLogP value of -0.2 indicates that Ethyl 2-cyano-3-ureidoacrylate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-cyano-3-ureidoacrylate. Following Lipinski's Rule of Five, Ethyl 2-cyano-3-ureidoacrylate 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 Ethyl 2-cyano-3-ureidoacrylate?
The CAS number of Ethyl 2-cyano-3-ureidoacrylate is 61679-83-2.
What is the molecular formula of Ethyl 2-cyano-3-ureidoacrylate?
The molecular formula of Ethyl 2-cyano-3-ureidoacrylate is C7H9N3O3.
What is the molecular weight of Ethyl 2-cyano-3-ureidoacrylate?
The molecular weight of Ethyl 2-cyano-3-ureidoacrylate is 183.06 g/mol.
Where can I buy Ethyl 2-cyano-3-ureidoacrylate?
You can request a quote for Ethyl 2-cyano-3-ureidoacrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-cyano-3-ureidoacrylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-cyano-3-ureidoacrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.