Propyl 2-(N-(2-chloroacetyl)-2-ethyl-6-methylanilino)acetate
TL;DR: Propyl 2-(N-(2-chloroacetyl)-2-ethyl-6-methylanilino)acetate (CAS 78617-10-4) 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.
propyl 2-(N-(2-chloroacetyl)-2-ethyl-6-methylanilino)acetate
Also Known As: propyl n-(chloroacetyl)-n-(2-ethyl-6-methylphenyl)glycinate, Propyl 2-(N-(2-chloroacetyl)-2-ethyl-6-methylanilino)acetate, Propyl 2-[(2-chloroacetyl)-(2-ethyl-6-methyl-phenyl)amino]acetate
| Molecular Formula | C16H22ClNO3 |
|---|---|
| Molecular Weight | 311.13 g/mol |
| LogP | 3.7 |
| 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 | 348.0 |
Chemical Identifiers
| CAS Number | 78617-10-4 |
|---|---|
| SMILES | CCCOC(=O)CN(C1=C(C=CC=C1CC)C)C(=O)CCl |
| InChIKey | XDRGHHIMPGAFDC-UHFFFAOYSA-N |
Product Overview
Propyl 2-(N-(2-chloroacetyl)-2-ethyl-6-methylanilino)acetate (CAS 78617-10-4), with molecular formula C16H22ClNO3 and molecular weight 311.13 g/mol. IUPAC: propyl 2-(N-(2-chloroacetyl)-2-ethyl-6-methylanilino)acetate.
Chemical Property Profile of Propyl 2-(N-(2-chloroacetyl)-2-ethyl-6-methylanilino)acetate
Property Insights of Propyl 2-(N-(2-chloroacetyl)-2-ethyl-6-methylanilino)acetate
The XLogP value of 3.7 indicates that Propyl 2-(N-(2-chloroacetyl)-2-ethyl-6-methylanilino)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.6 Ų, Propyl 2-(N-(2-chloroacetyl)-2-ethyl-6-methylanilino)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propyl 2-(N-(2-chloroacetyl)-2-ethyl-6-methylanilino)acetate 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 Propyl 2-(N-(2-chloroacetyl)-2-ethyl-6-methylanilino)acetate?
The CAS number of Propyl 2-(N-(2-chloroacetyl)-2-ethyl-6-methylanilino)acetate is 78617-10-4.
What is the molecular formula of Propyl 2-(N-(2-chloroacetyl)-2-ethyl-6-methylanilino)acetate?
The molecular formula of Propyl 2-(N-(2-chloroacetyl)-2-ethyl-6-methylanilino)acetate is C16H22ClNO3.
What is the molecular weight of Propyl 2-(N-(2-chloroacetyl)-2-ethyl-6-methylanilino)acetate?
The molecular weight of Propyl 2-(N-(2-chloroacetyl)-2-ethyl-6-methylanilino)acetate is 311.13 g/mol.
Where can I buy Propyl 2-(N-(2-chloroacetyl)-2-ethyl-6-methylanilino)acetate?
You can request a quote for Propyl 2-(N-(2-chloroacetyl)-2-ethyl-6-methylanilino)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propyl 2-(N-(2-chloroacetyl)-2-ethyl-6-methylanilino)acetate?
Yes, KEHONG BIO provides custom synthesis services for Propyl 2-(N-(2-chloroacetyl)-2-ethyl-6-methylanilino)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.