2-isothiocyanato-N-methyl-N-(2-(1-pyrrolidinyl)cyclohexyl)benzeneacetamide
TL;DR: 2-isothiocyanato-N-methyl-N-(2-(1-pyrrolidinyl)cyclohexyl)benzeneacetamide (CAS 118243-28-0) is a chemical compound with molecular formula C20H27N3OS and molecular weight 357.18747 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2-isothiocyanatophenyl)-N-methyl-N-[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide
Also Known As: Icmpcb, 2-Propanol,indium complex, 2-Isothiocyanato-N-methyl-N-(2-(1-pyrrolidinyl)cyclohexyl)benzeneacetamide, 2-(2-isothiocyanatophenyl)-N-methyl-N-[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide, 2-(2-isothiocyanatophenyl)-N-methyl-N-[(1S,2S)-2-(pyrrolidin-1-yl)cyclohexyl]acetamide
Technical Specifications
| Molecular Formula | C20H27N3OS |
| Molecular Weight | 357.18747 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 68.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 357.18747 Da |
| Heavy Atoms | 25 |
| Complexity | 499.0 |
| SMILES | CN([C@H]1CCCC[C@@H]1N2CCCC2)C(=O)CC3=CC=CC=C3N=C=S |
| InChIKey | DVQHPFMHNHWLJF-OALUTQOASA-N |
Chemical Property Profile of 2-isothiocyanato-N-methyl-N-(2-(1-pyrrolidinyl)cyclohexyl)benzeneacetamide
Property Insights of 2-isothiocyanato-N-methyl-N-(2-(1-pyrrolidinyl)cyclohexyl)benzeneacetamide
The XLogP value of 4.6 indicates that 2-isothiocyanato-N-methyl-N-(2-(1-pyrrolidinyl)cyclohexyl)benzeneacetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-isothiocyanato-N-methyl-N-(2-(1-pyrrolidinyl)cyclohexyl)benzeneacetamide. Following Lipinski's Rule of Five, 2-isothiocyanato-N-methyl-N-(2-(1-pyrrolidinyl)cyclohexyl)benzeneacetamide has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-isothiocyanato-N-methyl-N-(2-(1-pyrrolidinyl)cyclohexyl)benzeneacetamide?
The CAS number of 2-isothiocyanato-N-methyl-N-(2-(1-pyrrolidinyl)cyclohexyl)benzeneacetamide is 118243-28-0.
What is the molecular formula of 2-isothiocyanato-N-methyl-N-(2-(1-pyrrolidinyl)cyclohexyl)benzeneacetamide?
The molecular formula of 2-isothiocyanato-N-methyl-N-(2-(1-pyrrolidinyl)cyclohexyl)benzeneacetamide is C20H27N3OS.
What is the molecular weight of 2-isothiocyanato-N-methyl-N-(2-(1-pyrrolidinyl)cyclohexyl)benzeneacetamide?
The molecular weight of 2-isothiocyanato-N-methyl-N-(2-(1-pyrrolidinyl)cyclohexyl)benzeneacetamide is 357.18747 g/mol.
Where can I buy 2-isothiocyanato-N-methyl-N-(2-(1-pyrrolidinyl)cyclohexyl)benzeneacetamide?
You can request a quote for 2-isothiocyanato-N-methyl-N-(2-(1-pyrrolidinyl)cyclohexyl)benzeneacetamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-isothiocyanato-N-methyl-N-(2-(1-pyrrolidinyl)cyclohexyl)benzeneacetamide?
Yes, CoreyChem provides custom synthesis services for 2-isothiocyanato-N-methyl-N-(2-(1-pyrrolidinyl)cyclohexyl)benzeneacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.