Acetic acid, (diethylamino)oxo-, octyl ester
TL;DR: Acetic acid, (diethylamino)oxo-, octyl ester (CAS 60254-67-3) is a chemical compound with molecular formula C14H27NO3 and molecular weight 257.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
octyl 2-(diethylamino)-2-oxoacetate
Also Known As: Octyl N,N-diethyloxamate, Octyl (diethylamino)oxoacetate, Acetic acid, (diethylamino)oxo-, octyl ester, Octyl (diethylamino)(oxo)acetate, octyl 2-(diethylamino)-2-oxoacetate
| Molecular Formula | C14H27NO3 |
|---|---|
| Molecular Weight | 257.20 g/mol |
| LogP | 2.7585 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 257.1991 |
| Heavy Atoms | 18 |
| Complexity | 237.1936 |
Chemical Identifiers
| CAS Number | 60254-67-3 |
|---|---|
| SMILES | CCCCCCCCOC(=O)C(=O)N(CC)CC |
Product Overview
Acetic acid, (diethylamino)oxo-, octyl ester (CAS 60254-67-3), with molecular formula C14H27NO3 and molecular weight 257.20 g/mol. IUPAC: octyl 2-(diethylamino)-2-oxoacetate.
Chemical Property Profile of Acetic acid, (diethylamino)oxo-, octyl ester
Property Insights of Acetic acid, (diethylamino)oxo-, octyl ester
The XLogP value of 2.7585 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, (diethylamino)oxo-, octyl ester. With a topological polar surface area (TPSA) of 46.61 Ų, Acetic acid, (diethylamino)oxo-, octyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, (diethylamino)oxo-, octyl ester has 0 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 Acetic acid, (diethylamino)oxo-, octyl ester?
The CAS number of Acetic acid, (diethylamino)oxo-, octyl ester is 60254-67-3.
What is the molecular formula of Acetic acid, (diethylamino)oxo-, octyl ester?
The molecular formula of Acetic acid, (diethylamino)oxo-, octyl ester is C14H27NO3.
What is the molecular weight of Acetic acid, (diethylamino)oxo-, octyl ester?
The molecular weight of Acetic acid, (diethylamino)oxo-, octyl ester is 257.20 g/mol.
Where can I buy Acetic acid, (diethylamino)oxo-, octyl ester?
You can request a quote for Acetic acid, (diethylamino)oxo-, octyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, (diethylamino)oxo-, octyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, (diethylamino)oxo-, octyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.