Dimethyl N-octadecylaspartate
TL;DR: Dimethyl N-octadecylaspartate (CAS 68630-94-4) is a chemical compound with molecular formula C24H47NO4 and molecular weight 413.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-(octadecylamino)butanedioate
Also Known As: Dimethyl N-octadecylaspartate, Dimethyl N-stearyl-L-aspartate, Dimethyl N-octadecyl-L-aspartate, dimethyl 2-(octadecylamino)butanedioate, L-Aspartic acid, N-octadecyl-, dimethyl ester
| Molecular Formula | C24H47NO4 |
|---|---|
| Molecular Weight | 413.35 g/mol |
| LogP | 8.4 |
| Topological Polar Surface Area | 64.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 23 |
| Exact Mass | 413.3505 |
| Heavy Atoms | 29 |
| Complexity | 387.0 |
Chemical Identifiers
| CAS Number | 68630-94-4 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCNC(CC(=O)OC)C(=O)OC |
| InChIKey | GMXCEYLGVZDMKZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dimethyl N-octadecylaspartate (CAS 68630-94-4), with molecular formula C24H47NO4 and molecular weight 413.35 g/mol. IUPAC: dimethyl 2-(octadecylamino)butanedioate.
Chemical Property Profile of Dimethyl N-octadecylaspartate
Property Insights of Dimethyl N-octadecylaspartate
The XLogP value of 8.4 indicates that Dimethyl N-octadecylaspartate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl N-octadecylaspartate. Following Lipinski's Rule of Five, Dimethyl N-octadecylaspartate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dimethyl N-octadecylaspartate?
The CAS number of Dimethyl N-octadecylaspartate is 68630-94-4.
What is the molecular formula of Dimethyl N-octadecylaspartate?
The molecular formula of Dimethyl N-octadecylaspartate is C24H47NO4.
What is the molecular weight of Dimethyl N-octadecylaspartate?
The molecular weight of Dimethyl N-octadecylaspartate is 413.35 g/mol.
Where can I buy Dimethyl N-octadecylaspartate?
You can request a quote for Dimethyl N-octadecylaspartate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl N-octadecylaspartate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl N-octadecylaspartate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.