Ethyl 4-(3-ethoxyprop-2-enoylcarbamoylamino)butanoate
TL;DR: Ethyl 4-(3-ethoxyprop-2-enoylcarbamoylamino)butanoate (CAS 2950-91-6) is a chemical compound with molecular formula C12H20N2O5 and molecular weight 272.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(3-ethoxyprop-2-enoylcarbamoylamino)butanoate
Also Known As: ethyl 4-(3-ethoxyprop-2-enoylcarbamoylamino)butanoate, ethyl 4-{[(3-ethoxyacryloyl)carbamoyl]amino}butanoate, ethyl 4-[[(Z)-3-ethoxyprop-2-enoyl]carbamoylamino]butanoate
| Molecular Formula | C12H20N2O5 |
|---|---|
| Molecular Weight | 272.14 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 93.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 272.1372 |
| Heavy Atoms | 19 |
| Complexity | 328.0 |
Chemical Identifiers
| CAS Number | 2950-91-6 |
|---|---|
| SMILES | CCOC=CC(=O)NC(=O)NCCCC(=O)OCC |
| InChIKey | HPHORWXDYJMDPG-UHFFFAOYSA-N |
Product Overview
Ethyl 4-(3-ethoxyprop-2-enoylcarbamoylamino)butanoate (CAS 2950-91-6), with molecular formula C12H20N2O5 and molecular weight 272.14 g/mol. IUPAC: ethyl 4-(3-ethoxyprop-2-enoylcarbamoylamino)butanoate.
Chemical Property Profile of Ethyl 4-(3-ethoxyprop-2-enoylcarbamoylamino)butanoate
Property Insights of Ethyl 4-(3-ethoxyprop-2-enoylcarbamoylamino)butanoate
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-(3-ethoxyprop-2-enoylcarbamoylamino)butanoate. The TPSA of 93.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-(3-ethoxyprop-2-enoylcarbamoylamino)butanoate. Following Lipinski's Rule of Five, Ethyl 4-(3-ethoxyprop-2-enoylcarbamoylamino)butanoate 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 Ethyl 4-(3-ethoxyprop-2-enoylcarbamoylamino)butanoate?
The CAS number of Ethyl 4-(3-ethoxyprop-2-enoylcarbamoylamino)butanoate is 2950-91-6.
What is the molecular formula of Ethyl 4-(3-ethoxyprop-2-enoylcarbamoylamino)butanoate?
The molecular formula of Ethyl 4-(3-ethoxyprop-2-enoylcarbamoylamino)butanoate is C12H20N2O5.
What is the molecular weight of Ethyl 4-(3-ethoxyprop-2-enoylcarbamoylamino)butanoate?
The molecular weight of Ethyl 4-(3-ethoxyprop-2-enoylcarbamoylamino)butanoate is 272.14 g/mol.
Where can I buy Ethyl 4-(3-ethoxyprop-2-enoylcarbamoylamino)butanoate?
You can request a quote for Ethyl 4-(3-ethoxyprop-2-enoylcarbamoylamino)butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-(3-ethoxyprop-2-enoylcarbamoylamino)butanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(3-ethoxyprop-2-enoylcarbamoylamino)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.