Einecs 261-738-9
TL;DR: Einecs 261-738-9 (CAS 59404-77-2) is a chemical compound with molecular formula C21H40N2O5 and molecular weight 400.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dodecyl 2-amino-2-methylpropanoate;5-oxopyrrolidine-2-carboxylic acid
Also Known As: EINECS 261-738-9, 5-Oxo-DL-proline, compound with dodecyl 2-methylalaninate (1:1), dodecyl 2-amino-2-methylpropanoate; 5-oxopyrrolidine-2-carboxylic acid, 5-Hydroxy-3,4-dihydro-2H-pyrrole-2-carboxylic acid--dodecyl 2-methylalaninate (1/1)
| Molecular Formula | C21H40N2O5 |
|---|---|
| Molecular Weight | 400.29 g/mol |
| LogP | 3.5374 |
| Topological Polar Surface Area | 118.72 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 13 |
| Exact Mass | 400.29373 |
| Heavy Atoms | 28 |
| Complexity | 460.2025 |
Chemical Identifiers
| CAS Number | 59404-77-2 |
|---|---|
| SMILES | CCCCCCCCCCCCOC(=O)C(C)(C)N.C1CC(=O)NC1C(=O)O |
Product Overview
Einecs 261-738-9 (CAS 59404-77-2), with molecular formula C21H40N2O5 and molecular weight 400.29 g/mol. IUPAC: dodecyl 2-amino-2-methylpropanoate;5-oxopyrrolidine-2-carboxylic acid.
Chemical Property Profile of Einecs 261-738-9
Property Insights of Einecs 261-738-9
The XLogP value of 3.5374 indicates that Einecs 261-738-9 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.72 Ų falls within the moderate polarity range, balancing permeability and solubility for Einecs 261-738-9. Following Lipinski's Rule of Five, Einecs 261-738-9 has 3 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 Einecs 261-738-9?
The CAS number of Einecs 261-738-9 is 59404-77-2.
What is the molecular formula of Einecs 261-738-9?
The molecular formula of Einecs 261-738-9 is C21H40N2O5.
What is the molecular weight of Einecs 261-738-9?
The molecular weight of Einecs 261-738-9 is 400.29 g/mol.
Where can I buy Einecs 261-738-9?
You can request a quote for Einecs 261-738-9 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Einecs 261-738-9?
Yes, KEHONG BIO provides custom synthesis services for Einecs 261-738-9 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.