ethyl (E)-2-cyano-3-(methylcarbamoylamino)prop-2-enoate
TL;DR: ethyl (E)-2-cyano-3-(methylcarbamoylamino)prop-2-enoate (CAS 162129-66-0) is a chemical compound with molecular formula C8H11N3O3 and molecular weight 197.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (E)-2-cyano-3-(methylcarbamoylamino)prop-2-enoate
Also Known As: Ethyl (2Z)-2-cyano-3-[(methylcarbamoyl)amino]prop-2-enoate, ethyl (E)-2-cyano-3-(methylcarbamoylamino)prop-2-enoate
| Molecular Formula | C8H11N3O3 |
|---|---|
| Molecular Weight | 197.08 g/mol |
| LogP | -0.11402 |
| Topological Polar Surface Area | 91.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 197.08005 |
| Heavy Atoms | 14 |
| Complexity | 290.69687 |
Chemical Identifiers
| CAS Number | 162129-66-0 |
|---|---|
| SMILES | CCOC(=O)/C(=C/NC(=O)NC)/C#N |
Product Overview
ethyl (E)-2-cyano-3-(methylcarbamoylamino)prop-2-enoate (CAS 162129-66-0), with molecular formula C8H11N3O3 and molecular weight 197.08 g/mol. IUPAC: ethyl (E)-2-cyano-3-(methylcarbamoylamino)prop-2-enoate.
Chemical Property Profile of ethyl (E)-2-cyano-3-(methylcarbamoylamino)prop-2-enoate
Property Insights of ethyl (E)-2-cyano-3-(methylcarbamoylamino)prop-2-enoate
The XLogP value of -0.11402 indicates that ethyl (E)-2-cyano-3-(methylcarbamoylamino)prop-2-enoate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 91.22 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl (E)-2-cyano-3-(methylcarbamoylamino)prop-2-enoate. Following Lipinski's Rule of Five, ethyl (E)-2-cyano-3-(methylcarbamoylamino)prop-2-enoate 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 (E)-2-cyano-3-(methylcarbamoylamino)prop-2-enoate?
The CAS number of ethyl (E)-2-cyano-3-(methylcarbamoylamino)prop-2-enoate is 162129-66-0.
What is the molecular formula of ethyl (E)-2-cyano-3-(methylcarbamoylamino)prop-2-enoate?
The molecular formula of ethyl (E)-2-cyano-3-(methylcarbamoylamino)prop-2-enoate is C8H11N3O3.
What is the molecular weight of ethyl (E)-2-cyano-3-(methylcarbamoylamino)prop-2-enoate?
The molecular weight of ethyl (E)-2-cyano-3-(methylcarbamoylamino)prop-2-enoate is 197.08 g/mol.
Where can I buy ethyl (E)-2-cyano-3-(methylcarbamoylamino)prop-2-enoate?
You can request a quote for ethyl (E)-2-cyano-3-(methylcarbamoylamino)prop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl (E)-2-cyano-3-(methylcarbamoylamino)prop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl (E)-2-cyano-3-(methylcarbamoylamino)prop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.