Carbanilic acid, N-ethyl-isopropyl ester
TL;DR: Carbanilic acid, N-ethyl-isopropyl ester (CAS 56961-11-6) is a chemical compound with molecular formula C12H17NO2 and molecular weight 207.12593 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
propan-2-yl N-ethyl-N-phenylcarbamate
Also Known As: isopropyl N-ethylcarbanilate, propan-2-yl N-ethyl-N-phenylcarbamate, Propan-2-yl ethyl(phenyl)carbamate, Carbamic acid, ethylphenyl-, 1-methylethyl ester, CARBANILIC ACID, N-ETHYL-ISOPROPYL ESTER
Technical Specifications
| Molecular Formula | C12H17NO2 |
| Molecular Weight | 207.12593 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 207.12593 Da |
| Heavy Atoms | 15 |
| Complexity | 198.0 |
| SMILES | CCN(C1=CC=CC=C1)C(=O)OC(C)C |
| InChIKey | SQDMLDRMYYGDGT-UHFFFAOYSA-N |
Chemical Property Profile of Carbanilic acid, N-ethyl-isopropyl ester
Property Insights of Carbanilic acid, N-ethyl-isopropyl ester
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbanilic acid, N-ethyl-isopropyl ester. With a topological polar surface area (TPSA) of 29.5 Ų, Carbanilic acid, N-ethyl-isopropyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbanilic acid, N-ethyl-isopropyl ester has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Carbanilic acid, N-ethyl-isopropyl ester?
The CAS number of Carbanilic acid, N-ethyl-isopropyl ester is 56961-11-6.
What is the molecular formula of Carbanilic acid, N-ethyl-isopropyl ester?
The molecular formula of Carbanilic acid, N-ethyl-isopropyl ester is C12H17NO2.
What is the molecular weight of Carbanilic acid, N-ethyl-isopropyl ester?
The molecular weight of Carbanilic acid, N-ethyl-isopropyl ester is 207.12593 g/mol.
Where can I buy Carbanilic acid, N-ethyl-isopropyl ester?
You can request a quote for Carbanilic acid, N-ethyl-isopropyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Carbanilic acid, N-ethyl-isopropyl ester?
Yes, CoreyChem provides custom synthesis services for Carbanilic acid, N-ethyl-isopropyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.