Diethatyl
TL;DR: Diethatyl (CAS 38725-95-0) is a chemical compound with molecular formula C14H18ClNO3 and molecular weight 283.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(N-(2-chloroacetyl)-2,6-diethylanilino)acetic acid
Also Known As: Diethatyl, DIETHATYL [ISO], Diethatyl [ANSI:BSI:ISO], Diethatyl (ANSI:BSI:ISO), N-(Chloroacetyl)-N-(2,6-diethylphenyl)glycine
| Molecular Formula | C14H18ClNO3 |
|---|---|
| Molecular Weight | 283.10 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 57.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 283.09753 |
| Heavy Atoms | 19 |
| Complexity | 310.0 |
Chemical Identifiers
| CAS Number | 38725-95-0 |
|---|---|
| SMILES | CCC1=C(C(=CC=C1)CC)N(CC(=O)O)C(=O)CCl |
| InChIKey | ISERORSDFSDMDV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethatyl (CAS 38725-95-0), with molecular formula C14H18ClNO3 and molecular weight 283.10 g/mol. IUPAC: 2-(N-(2-chloroacetyl)-2,6-diethylanilino)acetic acid.
Chemical Property Profile of Diethatyl
Property Insights of Diethatyl
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethatyl. With a topological polar surface area (TPSA) of 57.6 Ų, Diethatyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethatyl has 1 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?
The CAS number of Diethatyl is 38725-95-0.
What is the molecular formula of Diethatyl?
The molecular formula of Diethatyl is C14H18ClNO3.
What is the molecular weight of Diethatyl?
The molecular weight of Diethatyl is 283.10 g/mol.
Where can I buy Diethatyl?
You can request a quote for Diethatyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethatyl?
Yes, KEHONG BIO provides custom synthesis services for Diethatyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.