![Diethyl 2-acetamido-2-[2-(4-octylphenyl)-2-oxo-ethyl] propanedioate structure](/static/products/268/268557-49-9.png)
Diethyl 2-acetamido-2-[2-(4-octylphenyl)-2-oxo-ethyl] propanedioate
TL;DR: Diethyl 2-acetamido-2-[2-(4-octylphenyl)-2-oxo-ethyl] propanedioate (CAS 268557-49-9) is a chemical compound with molecular formula C25H37NO6 and molecular weight 447.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-acetamido-2-[2-(4-octylphenyl)-2-oxoethyl]propanedioate
Also Known As: Fingolimod Impurity 5, Fingolimod Impurity 26, Fingolimod Impurity 37, diethyl 2-acetamido-2-[2-(4-octylphenyl)-2-oxoethyl]propanedioate, J1.342.325C
| Molecular Formula | C25H37NO6 |
|---|---|
| Molecular Weight | 447.26 g/mol |
| LogP | 4.1635 |
| Topological Polar Surface Area | 98.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 15 |
| Exact Mass | 447.2621 |
| Heavy Atoms | 32 |
| Complexity | 738.20056 |
Chemical Identifiers
| CAS Number | 268557-49-9 |
|---|---|
| SMILES | CCCCCCCCC1=CC=C(C=C1)C(=O)CC(C(=O)OCC)(C(=O)OCC)NC(=O)C |
Product Overview
Diethyl 2-acetamido-2-[2-(4-octylphenyl)-2-oxo-ethyl] propanedioate (CAS 268557-49-9), with molecular formula C25H37NO6 and molecular weight 447.26 g/mol. IUPAC: diethyl 2-acetamido-2-[2-(4-octylphenyl)-2-oxoethyl]propanedioate.
Chemical Property Profile of Diethyl 2-acetamido-2-[2-(4-octylphenyl)-2-oxo-ethyl] propanedioate
Property Insights of Diethyl 2-acetamido-2-[2-(4-octylphenyl)-2-oxo-ethyl] propanedioate
The XLogP value of 4.1635 indicates that Diethyl 2-acetamido-2-[2-(4-octylphenyl)-2-oxo-ethyl] propanedioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.77 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2-acetamido-2-[2-(4-octylphenyl)-2-oxo-ethyl] propanedioate. Following Lipinski's Rule of Five, Diethyl 2-acetamido-2-[2-(4-octylphenyl)-2-oxo-ethyl] propanedioate has 1 hydrogen bond donor(s) and 6 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 Diethyl 2-acetamido-2-[2-(4-octylphenyl)-2-oxo-ethyl] propanedioate?
The CAS number of Diethyl 2-acetamido-2-[2-(4-octylphenyl)-2-oxo-ethyl] propanedioate is 268557-49-9.
What is the molecular formula of Diethyl 2-acetamido-2-[2-(4-octylphenyl)-2-oxo-ethyl] propanedioate?
The molecular formula of Diethyl 2-acetamido-2-[2-(4-octylphenyl)-2-oxo-ethyl] propanedioate is C25H37NO6.
What is the molecular weight of Diethyl 2-acetamido-2-[2-(4-octylphenyl)-2-oxo-ethyl] propanedioate?
The molecular weight of Diethyl 2-acetamido-2-[2-(4-octylphenyl)-2-oxo-ethyl] propanedioate is 447.26 g/mol.
Where can I buy Diethyl 2-acetamido-2-[2-(4-octylphenyl)-2-oxo-ethyl] propanedioate?
You can request a quote for Diethyl 2-acetamido-2-[2-(4-octylphenyl)-2-oxo-ethyl] propanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2-acetamido-2-[2-(4-octylphenyl)-2-oxo-ethyl] propanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-acetamido-2-[2-(4-octylphenyl)-2-oxo-ethyl] propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.