Diethatyl-ethyl
TL;DR: Diethatyl-ethyl (CAS 38727-55-8) is a chemical compound with molecular formula C16H22ClNO3 and molecular weight 311.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(N-(2-chloroacetyl)-2,6-diethylanilino)acetate
Also Known As: Diethatyl-ethyl, Diethatyl ethyl, Antor, Nevirex G, Diethacine-ethyl
| Molecular Formula | C16H22ClNO3 |
|---|---|
| Molecular Weight | 311.13 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 311.1288 |
| Heavy Atoms | 21 |
| Complexity | 336.0 |
Chemical Identifiers
| CAS Number | 38727-55-8 |
|---|---|
| SMILES | CCC1=C(C(=CC=C1)CC)N(CC(=O)OCC)C(=O)CCl |
| InChIKey | WFKSADNZWSKCRZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethatyl-ethyl (CAS 38727-55-8), with molecular formula C16H22ClNO3 and molecular weight 311.13 g/mol. IUPAC: ethyl 2-(N-(2-chloroacetyl)-2,6-diethylanilino)acetate.
Chemical Property Profile of Diethatyl-ethyl
Property Insights of Diethatyl-ethyl
The XLogP value of 3.6 indicates that Diethatyl-ethyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.6 Ų, Diethatyl-ethyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethatyl-ethyl 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 Diethatyl-ethyl?
The CAS number of Diethatyl-ethyl is 38727-55-8.
What is the molecular formula of Diethatyl-ethyl?
The molecular formula of Diethatyl-ethyl is C16H22ClNO3.
What is the molecular weight of Diethatyl-ethyl?
The molecular weight of Diethatyl-ethyl is 311.13 g/mol.
Where can I buy Diethatyl-ethyl?
You can request a quote for Diethatyl-ethyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethatyl-ethyl?
Yes, KEHONG BIO provides custom synthesis services for Diethatyl-ethyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.