Disodium N-(1-oxoallyl)-L-aspartate
TL;DR: Disodium N-(1-oxoallyl)-L-aspartate (CAS 70714-76-0) is a chemical compound with molecular formula C7H7NNa2O5 and molecular weight 231.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;2-(prop-2-enoylamino)butanedioate
Also Known As: Disodium N-acryloyl-L-aspartate, disodium 2-(acryloylamino)butanedioate, Disodium N-(1-oxoallyl)-L-aspartate, N-(1-Oxo-2-propenyl)aspartic acid, disodium salt, disodium 2-(prop-2-enoylamino)butanedioate
| Molecular Formula | C7H7NNa2O5 |
|---|---|
| Molecular Weight | 231.01 g/mol |
| LogP | -9.44 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 231.01196 |
| Heavy Atoms | 15 |
| Complexity | 236.0 |
Chemical Identifiers
| CAS Number | 70714-76-0 |
|---|---|
| SMILES | C=CC(=O)NC(CC(=O)[O-])C(=O)[O-].[Na+].[Na+] |
| InChIKey | BYPTTXMQZBFJBL-UHFFFAOYSA-L |
Product Overview
Disodium N-(1-oxoallyl)-L-aspartate (CAS 70714-76-0), with molecular formula C7H7NNa2O5 and molecular weight 231.01 g/mol. IUPAC: disodium;2-(prop-2-enoylamino)butanedioate.
Chemical Property Profile of Disodium N-(1-oxoallyl)-L-aspartate
Property Insights of Disodium N-(1-oxoallyl)-L-aspartate
The XLogP value of -9.44 indicates that Disodium N-(1-oxoallyl)-L-aspartate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Disodium N-(1-oxoallyl)-L-aspartate. Following Lipinski's Rule of Five, Disodium N-(1-oxoallyl)-L-aspartate 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 Disodium N-(1-oxoallyl)-L-aspartate?
The CAS number of Disodium N-(1-oxoallyl)-L-aspartate is 70714-76-0.
What is the molecular formula of Disodium N-(1-oxoallyl)-L-aspartate?
The molecular formula of Disodium N-(1-oxoallyl)-L-aspartate is C7H7NNa2O5.
What is the molecular weight of Disodium N-(1-oxoallyl)-L-aspartate?
The molecular weight of Disodium N-(1-oxoallyl)-L-aspartate is 231.01 g/mol.
Where can I buy Disodium N-(1-oxoallyl)-L-aspartate?
You can request a quote for Disodium N-(1-oxoallyl)-L-aspartate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Disodium N-(1-oxoallyl)-L-aspartate?
Yes, KEHONG BIO provides custom synthesis services for Disodium N-(1-oxoallyl)-L-aspartate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.