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Sodium (cyclohexa-1,4-dien-1-yl)[(4-methoxy-4-oxobut-2-en-2-yl)amino]acetate
TL;DR: Sodium (cyclohexa-1,4-dien-1-yl)[(4-methoxy-4-oxobut-2-en-2-yl)amino]acetate (CAS 26774-89-0) is a chemical compound with molecular formula C13H16NNaO4 and molecular weight 273.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium (2R)-2-cyclohexa-1,4-dien-1-yl-2-[(4-methoxy-4-oxobut-2-en-2-yl)amino]acetate
Also Known As: Sodium (2R)-(cyclohexa-1,4-dien-1-yl)[(4-methoxy-4-oxobut-2-en-2-yl)amino]acetate, Sodium (cyclohexa-1,4-dien-1-yl)[(4-methoxy-4-oxobut-2-en-2-yl)amino]acetate, Sodium (R,E)-2-(cyclohexa-1,4-dien-1-yl)-2-((4-methoxy-4-oxobut-2-en-2-yl)amino)acetate, (R)-(+)-alpha-[(3-Methoxy-1-methyl-3-oxo-1-propenyl)amino]-1,4-cyclohexadiene-1-acetic acid sodium salt, SODIUM (2R)-2-(CYCLOHEXA-1,4-DIEN-1-YL)-2-{[(2E)-4-METHOXY-4-OXOBUT-2-EN-2-YL]AMINO}ACETATE
| Molecular Formula | C13H16NNaO4 |
|---|---|
| Molecular Weight | 273.10 g/mol |
| LogP | -2.9483 |
| Topological Polar Surface Area | 78.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 273.09772 |
| Heavy Atoms | 19 |
| Complexity | 426.35916 |
Chemical Identifiers
| CAS Number | 26774-89-0 |
|---|---|
| SMILES | CC(=CC(=O)OC)N[C@H](C1=CCC=CC1)C(=O)[O-].[Na+] |
Product Overview
Sodium (cyclohexa-1,4-dien-1-yl)[(4-methoxy-4-oxobut-2-en-2-yl)amino]acetate (CAS 26774-89-0), with molecular formula C13H16NNaO4 and molecular weight 273.10 g/mol. IUPAC: sodium (2R)-2-cyclohexa-1,4-dien-1-yl-2-[(4-methoxy-4-oxobut-2-en-2-yl)amino]acetate.
Chemical Property Profile of Sodium (cyclohexa-1,4-dien-1-yl)[(4-methoxy-4-oxobut-2-en-2-yl)amino]acetate
Property Insights of Sodium (cyclohexa-1,4-dien-1-yl)[(4-methoxy-4-oxobut-2-en-2-yl)amino]acetate
The XLogP value of -2.9483 indicates that Sodium (cyclohexa-1,4-dien-1-yl)[(4-methoxy-4-oxobut-2-en-2-yl)amino]acetate 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 Sodium (cyclohexa-1,4-dien-1-yl)[(4-methoxy-4-oxobut-2-en-2-yl)amino]acetate. Following Lipinski's Rule of Five, Sodium (cyclohexa-1,4-dien-1-yl)[(4-methoxy-4-oxobut-2-en-2-yl)amino]acetate 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 Sodium (cyclohexa-1,4-dien-1-yl)[(4-methoxy-4-oxobut-2-en-2-yl)amino]acetate?
The CAS number of Sodium (cyclohexa-1,4-dien-1-yl)[(4-methoxy-4-oxobut-2-en-2-yl)amino]acetate is 26774-89-0.
What is the molecular formula of Sodium (cyclohexa-1,4-dien-1-yl)[(4-methoxy-4-oxobut-2-en-2-yl)amino]acetate?
The molecular formula of Sodium (cyclohexa-1,4-dien-1-yl)[(4-methoxy-4-oxobut-2-en-2-yl)amino]acetate is C13H16NNaO4.
What is the molecular weight of Sodium (cyclohexa-1,4-dien-1-yl)[(4-methoxy-4-oxobut-2-en-2-yl)amino]acetate?
The molecular weight of Sodium (cyclohexa-1,4-dien-1-yl)[(4-methoxy-4-oxobut-2-en-2-yl)amino]acetate is 273.10 g/mol.
Where can I buy Sodium (cyclohexa-1,4-dien-1-yl)[(4-methoxy-4-oxobut-2-en-2-yl)amino]acetate?
You can request a quote for Sodium (cyclohexa-1,4-dien-1-yl)[(4-methoxy-4-oxobut-2-en-2-yl)amino]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sodium (cyclohexa-1,4-dien-1-yl)[(4-methoxy-4-oxobut-2-en-2-yl)amino]acetate?
Yes, KEHONG BIO provides custom synthesis services for Sodium (cyclohexa-1,4-dien-1-yl)[(4-methoxy-4-oxobut-2-en-2-yl)amino]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.