Carbanilic acid, 1-cyclohexyl-2-propyn-1-yl ester
TL;DR: Carbanilic acid, 1-cyclohexyl-2-propyn-1-yl ester (CAS 100836-83-7) is a chemical compound with molecular formula C16H19NO2 and molecular weight 257.14157 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-cyclohexylprop-2-ynyl N-phenylcarbamate
Also Known As: 1-cyclohexylprop-2-ynyl N-phenylcarbamate, 1-Cyclohexyl-2-propyn-1-yl carbanilate, Cyclohexanemethanol, alpha-ethynyl-, carbanilate, 1-cyclohexylprop-2-yn-1-yl phenylcarbamate, CARBANILIC ACID, 1-CYCLOHEXYL-2-PROPYN-1-YL ESTER
Technical Specifications
| Molecular Formula | C16H19NO2 |
| Molecular Weight | 257.14157 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 257.14157 Da |
| Heavy Atoms | 19 |
| Complexity | 332.0 |
| SMILES | C#CC(C1CCCCC1)OC(=O)NC2=CC=CC=C2 |
| InChIKey | YWVRFLPOLDGBCK-UHFFFAOYSA-N |
Chemical Property Profile of Carbanilic acid, 1-cyclohexyl-2-propyn-1-yl ester
Property Insights of Carbanilic acid, 1-cyclohexyl-2-propyn-1-yl ester
The XLogP value of 4.0 indicates that Carbanilic acid, 1-cyclohexyl-2-propyn-1-yl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, Carbanilic acid, 1-cyclohexyl-2-propyn-1-yl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbanilic acid, 1-cyclohexyl-2-propyn-1-yl ester has 1 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, 1-cyclohexyl-2-propyn-1-yl ester?
The CAS number of Carbanilic acid, 1-cyclohexyl-2-propyn-1-yl ester is 100836-83-7.
What is the molecular formula of Carbanilic acid, 1-cyclohexyl-2-propyn-1-yl ester?
The molecular formula of Carbanilic acid, 1-cyclohexyl-2-propyn-1-yl ester is C16H19NO2.
What is the molecular weight of Carbanilic acid, 1-cyclohexyl-2-propyn-1-yl ester?
The molecular weight of Carbanilic acid, 1-cyclohexyl-2-propyn-1-yl ester is 257.14157 g/mol.
Where can I buy Carbanilic acid, 1-cyclohexyl-2-propyn-1-yl ester?
You can request a quote for Carbanilic acid, 1-cyclohexyl-2-propyn-1-yl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Carbanilic acid, 1-cyclohexyl-2-propyn-1-yl ester?
Yes, CoreyChem provides custom synthesis services for Carbanilic acid, 1-cyclohexyl-2-propyn-1-yl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.