n,n-Bis(2-cyanoethyl)aspartic acid
TL;DR: n,n-Bis(2-cyanoethyl)aspartic acid (CAS 7115-41-5) is a chemical compound with molecular formula C10H13N3O4 and molecular weight 239.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[bis(2-cyanoethyl)amino]butanedioic acid
Also Known As: n,n-bis(2-cyanoethyl)aspartic acid, 2-[bis(2-cyanoethyl)amino]butanedioic acid, DL-Aspartic acid,N-bis(2-cyanoethyl)-, DL-Aspartic acid, N,N-bis(2-cyanoethyl)-, DL-Aspartic acid, N,N-bis (2-cyanoethyl)-
| Molecular Formula | C10H13N3O4 |
|---|---|
| Molecular Weight | 239.09 g/mol |
| LogP | -3.5 |
| Topological Polar Surface Area | 125.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 239.0906 |
| Heavy Atoms | 17 |
| Complexity | 356.0 |
Chemical Identifiers
| CAS Number | 7115-41-5 |
|---|---|
| SMILES | C(CN(CCC#N)C(CC(=O)O)C(=O)O)C#N |
| InChIKey | GNVTYGNEZLLRIK-UHFFFAOYSA-N |
Product Overview
n,n-Bis(2-cyanoethyl)aspartic acid (CAS 7115-41-5), with molecular formula C10H13N3O4 and molecular weight 239.09 g/mol. IUPAC: 2-[bis(2-cyanoethyl)amino]butanedioic acid.
Chemical Property Profile of n,n-Bis(2-cyanoethyl)aspartic acid
Property Insights of n,n-Bis(2-cyanoethyl)aspartic acid
The XLogP value of -3.5 indicates that n,n-Bis(2-cyanoethyl)aspartic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for n,n-Bis(2-cyanoethyl)aspartic acid. Following Lipinski's Rule of Five, n,n-Bis(2-cyanoethyl)aspartic acid has 2 hydrogen bond donor(s) and 7 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 n,n-Bis(2-cyanoethyl)aspartic acid?
The CAS number of n,n-Bis(2-cyanoethyl)aspartic acid is 7115-41-5.
What is the molecular formula of n,n-Bis(2-cyanoethyl)aspartic acid?
The molecular formula of n,n-Bis(2-cyanoethyl)aspartic acid is C10H13N3O4.
What is the molecular weight of n,n-Bis(2-cyanoethyl)aspartic acid?
The molecular weight of n,n-Bis(2-cyanoethyl)aspartic acid is 239.09 g/mol.
Where can I buy n,n-Bis(2-cyanoethyl)aspartic acid?
You can request a quote for n,n-Bis(2-cyanoethyl)aspartic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for n,n-Bis(2-cyanoethyl)aspartic acid?
Yes, KEHONG BIO provides custom synthesis services for n,n-Bis(2-cyanoethyl)aspartic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.