![4-[3-(3-Carboxyprop-2-enoylamino)propylamino]-4-oxobut-2-enoic acid structure](/static/products/6331/6331-21-1.webp)
4-[3-(3-Carboxyprop-2-enoylamino)propylamino]-4-oxobut-2-enoic acid
TL;DR: 4-[3-(3-Carboxyprop-2-enoylamino)propylamino]-4-oxobut-2-enoic acid (CAS 6331-21-1) is a chemical compound with molecular formula C11H14N2O6 and molecular weight 270.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-(3-carboxyprop-2-enoylamino)propylamino]-4-oxobut-2-enoic acid
Also Known As: 4-((3-((3-Carboxyacryloyl)amino)propyl)amino)-4-oxo-2-butenoic acid, 4-[3-[(4-hydroxy-4-oxobut-2-enoyl)amino]propylamino]-4-oxobut-2-enoic acid
| Molecular Formula | C11H14N2O6 |
|---|---|
| Molecular Weight | 270.09 g/mol |
| LogP | -1.3 |
| Topological Polar Surface Area | 133.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 270.08517 |
| Heavy Atoms | 19 |
| Complexity | 375.0 |
Chemical Identifiers
| CAS Number | 6331-21-1 |
|---|---|
| SMILES | C(CNC(=O)C=CC(=O)O)CNC(=O)C=CC(=O)O |
| InChIKey | RCDMHMKCOQUIFA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-[3-(3-Carboxyprop-2-enoylamino)propylamino]-4-oxobut-2-enoic acid (CAS 6331-21-1), with molecular formula C11H14N2O6 and molecular weight 270.09 g/mol. IUPAC: 4-[3-(3-carboxyprop-2-enoylamino)propylamino]-4-oxobut-2-enoic acid.
Chemical Property Profile of 4-[3-(3-Carboxyprop-2-enoylamino)propylamino]-4-oxobut-2-enoic acid
Property Insights of 4-[3-(3-Carboxyprop-2-enoylamino)propylamino]-4-oxobut-2-enoic acid
The XLogP value of -1.3 indicates that 4-[3-(3-Carboxyprop-2-enoylamino)propylamino]-4-oxobut-2-enoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[3-(3-Carboxyprop-2-enoylamino)propylamino]-4-oxobut-2-enoic acid. Following Lipinski's Rule of Five, 4-[3-(3-Carboxyprop-2-enoylamino)propylamino]-4-oxobut-2-enoic acid has 4 hydrogen bond donor(s) and 6 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 4-[3-(3-Carboxyprop-2-enoylamino)propylamino]-4-oxobut-2-enoic acid?
The CAS number of 4-[3-(3-Carboxyprop-2-enoylamino)propylamino]-4-oxobut-2-enoic acid is 6331-21-1.
What is the molecular formula of 4-[3-(3-Carboxyprop-2-enoylamino)propylamino]-4-oxobut-2-enoic acid?
The molecular formula of 4-[3-(3-Carboxyprop-2-enoylamino)propylamino]-4-oxobut-2-enoic acid is C11H14N2O6.
What is the molecular weight of 4-[3-(3-Carboxyprop-2-enoylamino)propylamino]-4-oxobut-2-enoic acid?
The molecular weight of 4-[3-(3-Carboxyprop-2-enoylamino)propylamino]-4-oxobut-2-enoic acid is 270.09 g/mol.
Where can I buy 4-[3-(3-Carboxyprop-2-enoylamino)propylamino]-4-oxobut-2-enoic acid?
You can request a quote for 4-[3-(3-Carboxyprop-2-enoylamino)propylamino]-4-oxobut-2-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[3-(3-Carboxyprop-2-enoylamino)propylamino]-4-oxobut-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[3-(3-Carboxyprop-2-enoylamino)propylamino]-4-oxobut-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.