Carbanilic acid, N-(2-(diethylcarbamoyl)ethyl)-2,6-dimethyl-, ethyl ester
TL;DR: Carbanilic acid, N-(2-(diethylcarbamoyl)ethyl)-2,6-dimethyl-, ethyl ester (CAS 95126-53-7) is a chemical compound with molecular formula C18H28N2O3 and molecular weight 320.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-[3-(diethylamino)-3-oxopropyl]-N-(2,6-dimethylphenyl)carbamate
Also Known As: 4-12-00-02534 (Beilstein Handbook Reference), CARBANILIC ACID, N-(2-(DIETHYLCARBAMOYL)ETHYL)-2,6-DIMETHYL-, ETHYL ESTER, N-(2-(Diethylcarbamoyl)ethyl)-2,6-dimethyl-carbanilic acid ethyl ester, ethyl [3-(diethylamino)-3-oxopropyl](2,6-dimethylphenyl)carbamate, ethyl N-[2-(diethylcarbamoyl)ethyl]-N-(2,6-dimethylphenyl)carbamate
| Molecular Formula | C18H28N2O3 |
|---|---|
| Molecular Weight | 320.21 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 49.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 320.21 |
| Heavy Atoms | 23 |
| Complexity | 372.0 |
Chemical Identifiers
| CAS Number | 95126-53-7 |
|---|---|
| SMILES | CCN(CC)C(=O)CCN(C1=C(C=CC=C1C)C)C(=O)OCC |
| InChIKey | NJEBFISSQYAYMD-UHFFFAOYSA-N |
Product Overview
Carbanilic acid, N-(2-(diethylcarbamoyl)ethyl)-2,6-dimethyl-, ethyl ester (CAS 95126-53-7), with molecular formula C18H28N2O3 and molecular weight 320.21 g/mol. IUPAC: ethyl N-[3-(diethylamino)-3-oxopropyl]-N-(2,6-dimethylphenyl)carbamate.
Chemical Property Profile of Carbanilic acid, N-(2-(diethylcarbamoyl)ethyl)-2,6-dimethyl-, ethyl ester
Property Insights of Carbanilic acid, N-(2-(diethylcarbamoyl)ethyl)-2,6-dimethyl-, ethyl ester
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbanilic acid, N-(2-(diethylcarbamoyl)ethyl)-2,6-dimethyl-, ethyl ester. With a topological polar surface area (TPSA) of 49.9 Ų, Carbanilic acid, N-(2-(diethylcarbamoyl)ethyl)-2,6-dimethyl-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbanilic acid, N-(2-(diethylcarbamoyl)ethyl)-2,6-dimethyl-, ethyl 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 Carbanilic acid, N-(2-(diethylcarbamoyl)ethyl)-2,6-dimethyl-, ethyl ester?
The CAS number of Carbanilic acid, N-(2-(diethylcarbamoyl)ethyl)-2,6-dimethyl-, ethyl ester is 95126-53-7.
What is the molecular formula of Carbanilic acid, N-(2-(diethylcarbamoyl)ethyl)-2,6-dimethyl-, ethyl ester?
The molecular formula of Carbanilic acid, N-(2-(diethylcarbamoyl)ethyl)-2,6-dimethyl-, ethyl ester is C18H28N2O3.
What is the molecular weight of Carbanilic acid, N-(2-(diethylcarbamoyl)ethyl)-2,6-dimethyl-, ethyl ester?
The molecular weight of Carbanilic acid, N-(2-(diethylcarbamoyl)ethyl)-2,6-dimethyl-, ethyl ester is 320.21 g/mol.
Where can I buy Carbanilic acid, N-(2-(diethylcarbamoyl)ethyl)-2,6-dimethyl-, ethyl ester?
You can request a quote for Carbanilic acid, N-(2-(diethylcarbamoyl)ethyl)-2,6-dimethyl-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbanilic acid, N-(2-(diethylcarbamoyl)ethyl)-2,6-dimethyl-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbanilic acid, N-(2-(diethylcarbamoyl)ethyl)-2,6-dimethyl-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.