Acetic acid, (diethylamino)oxo-, heptyl ester
TL;DR: Acetic acid, (diethylamino)oxo-, heptyl ester (CAS 60254-66-2) is a chemical compound with molecular formula C13H25NO3 and molecular weight 243.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
heptyl 2-(diethylamino)-2-oxoacetate
Also Known As: Heptyl N,N-diethyloxamate, Heptyl (diethylamino)oxoacetate, Acetic acid, (diethylamino)oxo-, heptyl ester, Heptyl (diethylamino)(oxo)acetate, heptyl 2-(diethylamino)-2-oxoacetate
| Molecular Formula | C13H25NO3 |
|---|---|
| Molecular Weight | 243.18 g/mol |
| LogP | 2.3684 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 243.18344 |
| Heavy Atoms | 17 |
| Complexity | 224.70447 |
Chemical Identifiers
| CAS Number | 60254-66-2 |
|---|---|
| SMILES | CCCCCCCOC(=O)C(=O)N(CC)CC |
Product Overview
Acetic acid, (diethylamino)oxo-, heptyl ester (CAS 60254-66-2), with molecular formula C13H25NO3 and molecular weight 243.18 g/mol. IUPAC: heptyl 2-(diethylamino)-2-oxoacetate.
Chemical Property Profile of Acetic acid, (diethylamino)oxo-, heptyl ester
Property Insights of Acetic acid, (diethylamino)oxo-, heptyl ester
The XLogP value of 2.3684 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, (diethylamino)oxo-, heptyl ester. With a topological polar surface area (TPSA) of 46.61 Ų, Acetic acid, (diethylamino)oxo-, heptyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, (diethylamino)oxo-, heptyl 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-, heptyl ester?
The CAS number of Acetic acid, (diethylamino)oxo-, heptyl ester is 60254-66-2.
What is the molecular formula of Acetic acid, (diethylamino)oxo-, heptyl ester?
The molecular formula of Acetic acid, (diethylamino)oxo-, heptyl ester is C13H25NO3.
What is the molecular weight of Acetic acid, (diethylamino)oxo-, heptyl ester?
The molecular weight of Acetic acid, (diethylamino)oxo-, heptyl ester is 243.18 g/mol.
Where can I buy Acetic acid, (diethylamino)oxo-, heptyl ester?
You can request a quote for Acetic acid, (diethylamino)oxo-, heptyl 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-, heptyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, (diethylamino)oxo-, heptyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.