![2-[N-(D,L-Phenylglycine)]crotonic Acid Ethyl Ester Potassium Salt structure](/static/products/961/961-69-3.png)
2-[N-(D,L-Phenylglycine)]crotonic Acid Ethyl Ester Potassium Salt
TL;DR: 2-[N-(D,L-Phenylglycine)]crotonic Acid Ethyl Ester Potassium Salt (CAS 961-69-3) is a chemical compound with molecular formula C14H16KNO4 and molecular weight 301.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
potassium 2-[[(E)-4-ethoxy-4-oxobut-2-en-2-yl]amino]-2-phenylacetate
Also Known As: Dane Salt, 2-[N-(D,L-Phenylglycine)]crotonic Acid Ethyl Ester Potassium Salt, (E)-Ethyl 2-[N-(D,L-Phenylglycine)]but-2-enoate Potassium Salt, (R)-(-)-alpha-((3-ethoxy-1-methyl-3-oxo-1-propeny, 2-[N-(D,L)-Phenylglycine) Ethyl trans-Crotonate Potassium Salt
| Molecular Formula | C14H16KNO4 |
|---|---|
| Molecular Weight | 301.07 g/mol |
| LogP | -2.4619 |
| Topological Polar Surface Area | 78.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 301.07162 |
| Heavy Atoms | 20 |
| Complexity | 473.32205 |
Chemical Identifiers
| CAS Number | 961-69-3 |
|---|---|
| SMILES | CCOC(=O)/C=C(\C)/NC(C1=CC=CC=C1)C(=O)[O-].[K+] |
Product Overview
2-[N-(D,L-Phenylglycine)]crotonic Acid Ethyl Ester Potassium Salt (CAS 961-69-3), with molecular formula C14H16KNO4 and molecular weight 301.07 g/mol. IUPAC: potassium 2-[[(E)-4-ethoxy-4-oxobut-2-en-2-yl]amino]-2-phenylacetate.
Chemical Property Profile of 2-[N-(D,L-Phenylglycine)]crotonic Acid Ethyl Ester Potassium Salt
Property Insights of 2-[N-(D,L-Phenylglycine)]crotonic Acid Ethyl Ester Potassium Salt
The XLogP value of -2.4619 indicates that 2-[N-(D,L-Phenylglycine)]crotonic Acid Ethyl Ester Potassium Salt is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 78.46 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[N-(D,L-Phenylglycine)]crotonic Acid Ethyl Ester Potassium Salt. Following Lipinski's Rule of Five, 2-[N-(D,L-Phenylglycine)]crotonic Acid Ethyl Ester Potassium Salt has 1 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 2-[N-(D,L-Phenylglycine)]crotonic Acid Ethyl Ester Potassium Salt?
The CAS number of 2-[N-(D,L-Phenylglycine)]crotonic Acid Ethyl Ester Potassium Salt is 961-69-3.
What is the molecular formula of 2-[N-(D,L-Phenylglycine)]crotonic Acid Ethyl Ester Potassium Salt?
The molecular formula of 2-[N-(D,L-Phenylglycine)]crotonic Acid Ethyl Ester Potassium Salt is C14H16KNO4.
What is the molecular weight of 2-[N-(D,L-Phenylglycine)]crotonic Acid Ethyl Ester Potassium Salt?
The molecular weight of 2-[N-(D,L-Phenylglycine)]crotonic Acid Ethyl Ester Potassium Salt is 301.07 g/mol.
Where can I buy 2-[N-(D,L-Phenylglycine)]crotonic Acid Ethyl Ester Potassium Salt?
You can request a quote for 2-[N-(D,L-Phenylglycine)]crotonic Acid Ethyl Ester Potassium Salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[N-(D,L-Phenylglycine)]crotonic Acid Ethyl Ester Potassium Salt?
Yes, KEHONG BIO provides custom synthesis services for 2-[N-(D,L-Phenylglycine)]crotonic Acid Ethyl Ester Potassium Salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.