2-(Dimethylamino)-1-phenylethyl heptanoate
TL;DR: 2-(Dimethylamino)-1-phenylethyl heptanoate (CAS 67227-07-0) is a chemical compound with molecular formula C17H27NO2 and molecular weight 277.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(dimethylamino)-1-phenylethyl] heptanoate
Also Known As: beta-Heptoyloxy-beta-phenylethyl dimethylamine, 2-(Dimethylamino)-1-phenylethyl heptanoate, [2-(dimethylamino)-1-phenylethyl] heptanoate, HEPTANOIC ACID, (2-(DIMETHYLAMINO)-1-PHENYL)ETHYL ESTER, Heptanoic acid 2-(dimethylamino)-1-phenylethyl ester
| Molecular Formula | C17H27NO2 |
|---|---|
| Molecular Weight | 277.20 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 277.2042 |
| Heavy Atoms | 20 |
| Complexity | 260.0 |
Chemical Identifiers
| CAS Number | 67227-07-0 |
|---|---|
| SMILES | CCCCCCC(=O)OC(CN(C)C)C1=CC=CC=C1 |
| InChIKey | KOONYQJEHOIRLU-UHFFFAOYSA-N |
Product Overview
2-(Dimethylamino)-1-phenylethyl heptanoate (CAS 67227-07-0), with molecular formula C17H27NO2 and molecular weight 277.20 g/mol. IUPAC: [2-(dimethylamino)-1-phenylethyl] heptanoate.
Chemical Property Profile of 2-(Dimethylamino)-1-phenylethyl heptanoate
Property Insights of 2-(Dimethylamino)-1-phenylethyl heptanoate
The XLogP value of 4.1 indicates that 2-(Dimethylamino)-1-phenylethyl heptanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, 2-(Dimethylamino)-1-phenylethyl heptanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Dimethylamino)-1-phenylethyl heptanoate 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 2-(Dimethylamino)-1-phenylethyl heptanoate?
The CAS number of 2-(Dimethylamino)-1-phenylethyl heptanoate is 67227-07-0.
What is the molecular formula of 2-(Dimethylamino)-1-phenylethyl heptanoate?
The molecular formula of 2-(Dimethylamino)-1-phenylethyl heptanoate is C17H27NO2.
What is the molecular weight of 2-(Dimethylamino)-1-phenylethyl heptanoate?
The molecular weight of 2-(Dimethylamino)-1-phenylethyl heptanoate is 277.20 g/mol.
Where can I buy 2-(Dimethylamino)-1-phenylethyl heptanoate?
You can request a quote for 2-(Dimethylamino)-1-phenylethyl heptanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Dimethylamino)-1-phenylethyl heptanoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(Dimethylamino)-1-phenylethyl heptanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.