beta-Ethylideneaspartate
TL;DR: beta-Ethylideneaspartate (CAS 97402-97-6) is a chemical compound with molecular formula C6H9NO4 and molecular weight 159.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3Z)-2-amino-3-ethylidenebutanedioic acid
Also Known As: beta-Ethylideneaspartate, beta-Ethylidene-DL-aspartate, (2S,3Z)-2-amino-3-ethylidenebutanedioic acid, RefChem:119369
| Molecular Formula | C6H9NO4 |
|---|---|
| Molecular Weight | 159.05 g/mol |
| LogP | -0.5708 |
| Topological Polar Surface Area | 100.62 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 159.05316 |
| Heavy Atoms | 11 |
| Complexity | 208.62782 |
Chemical Identifiers
| CAS Number | 97402-97-6 |
|---|---|
| SMILES | C/C=C(/[C@@H](C(=O)O)N)\C(=O)O |
Product Overview
beta-Ethylideneaspartate (CAS 97402-97-6), with molecular formula C6H9NO4 and molecular weight 159.05 g/mol. IUPAC: (2S,3Z)-2-amino-3-ethylidenebutanedioic acid.
Chemical Property Profile of beta-Ethylideneaspartate
Property Insights of beta-Ethylideneaspartate
The XLogP value of -0.5708 indicates that beta-Ethylideneaspartate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 100.62 Ų falls within the moderate polarity range, balancing permeability and solubility for beta-Ethylideneaspartate. Following Lipinski's Rule of Five, beta-Ethylideneaspartate has 3 hydrogen bond donor(s) and 3 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 beta-Ethylideneaspartate?
The CAS number of beta-Ethylideneaspartate is 97402-97-6.
What is the molecular formula of beta-Ethylideneaspartate?
The molecular formula of beta-Ethylideneaspartate is C6H9NO4.
What is the molecular weight of beta-Ethylideneaspartate?
The molecular weight of beta-Ethylideneaspartate is 159.05 g/mol.
Where can I buy beta-Ethylideneaspartate?
You can request a quote for beta-Ethylideneaspartate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-Ethylideneaspartate?
Yes, KEHONG BIO provides custom synthesis services for beta-Ethylideneaspartate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.