1-Aspartate-n,n-diacetate
TL;DR: 1-Aspartate-n,n-diacetate (CAS 24868-49-3) is a chemical compound with molecular formula C8H11NO8 and molecular weight 249.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[bis(carboxymethyl)amino]butanedioic acid
Also Known As: 1-aspartate-n,n-diacetate, N,N-Bis(carboxymethyl)aspartic acid, N,N-Bis(carboxymethyl)-L-aspartic acid, L-Aspartic acid,N,N-bis(carboxymethyl), L-Aspartic acid, N,N-bis(carboxymethyl)-
| Molecular Formula | C8H11NO8 |
|---|---|
| Molecular Weight | 249.05 g/mol |
| LogP | -1.6145 |
| Topological Polar Surface Area | 152.44 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 249.04846 |
| Heavy Atoms | 17 |
| Complexity | 322.41687 |
Chemical Identifiers
| CAS Number | 24868-49-3 |
|---|---|
| SMILES | C([C@@H](C(=O)O)N(CC(=O)O)CC(=O)O)C(=O)O |
Product Overview
1-Aspartate-n,n-diacetate (CAS 24868-49-3), with molecular formula C8H11NO8 and molecular weight 249.05 g/mol. IUPAC: (2S)-2-[bis(carboxymethyl)amino]butanedioic acid.
Chemical Property Profile of 1-Aspartate-n,n-diacetate
Property Insights of 1-Aspartate-n,n-diacetate
The XLogP value of -1.6145 indicates that 1-Aspartate-n,n-diacetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 152.44 Ų indicates high polarity, suggesting 1-Aspartate-n,n-diacetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-Aspartate-n,n-diacetate has 4 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 1-Aspartate-n,n-diacetate?
The CAS number of 1-Aspartate-n,n-diacetate is 24868-49-3.
What is the molecular formula of 1-Aspartate-n,n-diacetate?
The molecular formula of 1-Aspartate-n,n-diacetate is C8H11NO8.
What is the molecular weight of 1-Aspartate-n,n-diacetate?
The molecular weight of 1-Aspartate-n,n-diacetate is 249.05 g/mol.
Where can I buy 1-Aspartate-n,n-diacetate?
You can request a quote for 1-Aspartate-n,n-diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Aspartate-n,n-diacetate?
Yes, KEHONG BIO provides custom synthesis services for 1-Aspartate-n,n-diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.