RefChem:151830
TL;DR: RefChem:151830 (CAS 61894-02-8) is a chemical compound with molecular formula C26H42NNa3O7 and molecular weight 549.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trisodium;(2S)-2-[3-carboxylatoprop-2-enoyl(octadecyl)amino]butanedioate
Also Known As: Trisodium N-3-carboxy-2-propenoyl-N-stearyl-L-aspartate, N-(3-Carboxy-2-propenoyl)-N-octadecyl-aspartic acid, trisodium salt, Trisodium N-(3-carboxylatoacryloyl)-N-octadecyl-L-aspartate, L-Aspartic acid, N-(3-carboxy-1-oxo-2-propen-1-yl)-N-octadecyl-, sodium salt (1:3), L-Aspartic acid, N-(3-carboxy-1-oxo-2-propenyl)-N-octadecyl-, trisodium salt
| Molecular Formula | C26H42NNa3O7 |
|---|---|
| Molecular Weight | 549.27 g/mol |
| LogP | -7.35 |
| Topological Polar Surface Area | 141.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 20 |
| Exact Mass | 549.26544 |
| Heavy Atoms | 37 |
| Complexity | 602.0 |
Chemical Identifiers
| CAS Number | 61894-02-8 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCN([C@@H](CC(=O)[O-])C(=O)[O-])C(=O)C=CC(=O)[O-].[Na+].[Na+].[Na+] |
| InChIKey | LPSATXJMGWLRTJ-NNUMAELLSA-K |
Product Overview
RefChem:151830 (CAS 61894-02-8), with molecular formula C26H42NNa3O7 and molecular weight 549.27 g/mol. IUPAC: trisodium;(2S)-2-[3-carboxylatoprop-2-enoyl(octadecyl)amino]butanedioate.
Chemical Property Profile of RefChem:151830
Property Insights of RefChem:151830
The XLogP value of -7.35 indicates that RefChem:151830 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 141.0 Ų indicates high polarity, suggesting RefChem:151830 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:151830 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:151830?
The CAS number of RefChem:151830 is 61894-02-8.
What is the molecular formula of RefChem:151830?
The molecular formula of RefChem:151830 is C26H42NNa3O7.
What is the molecular weight of RefChem:151830?
The molecular weight of RefChem:151830 is 549.27 g/mol.
Where can I buy RefChem:151830?
You can request a quote for RefChem:151830 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:151830?
Yes, KEHONG BIO provides custom synthesis services for RefChem:151830 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.