Butyronitrile, 4-(dimethylamino)-2-isopropyl-2-phenyl-, cyclohexane sulfamate
TL;DR: Butyronitrile, 4-(dimethylamino)-2-isopropyl-2-phenyl-, cyclohexane sulfamate (CAS 100700-37-6) is a chemical compound with molecular formula C21H35N3O3S and molecular weight 409.2399 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3-cyano-4-methyl-3-phenylpentyl)-dimethylazanium;N-cyclohexylsulfamate
Also Known As: TAT-1 cyclamate, BUTYRONITRILE, 4-(DIMETHYLAMINO)-2-ISOPROPYL-2-PHENYL-, CYCLOHEXANE SULFAMATE, 4-(Dimethylamino)-2-isopropyl-2-phenylvaleronitrile cyclamate, alpha-(2-(Dimethylamino)propyl)-alpha-isopropylphenylacetonitrile cyclamate, alpha-(beta-Dimethylaminopropyl)-alpha-(isopropyl)phenylacetonitrile cyclamate
Technical Specifications
| Molecular Formula | C21H35N3O3S |
| Molecular Weight | 409.2399 g/mol |
| XLogP | 2.01 |
| Topological Polar Surface Area (TPSA) | 106.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 409.2399 Da |
| Heavy Atoms | 28 |
| Complexity | 455.0 |
| SMILES | CC(C)C(CC[NH+](C)C)(C#N)C1=CC=CC=C1.C1CCC(CC1)NS(=O)(=O)[O-] |
| InChIKey | TYHONNDWIFYQMB-UHFFFAOYSA-N |
Chemical Property Profile of Butyronitrile, 4-(dimethylamino)-2-isopropyl-2-phenyl-, cyclohexane sulfamate
Property Insights of Butyronitrile, 4-(dimethylamino)-2-isopropyl-2-phenyl-, cyclohexane sulfamate
The XLogP value of 2.01 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyronitrile, 4-(dimethylamino)-2-isopropyl-2-phenyl-, cyclohexane sulfamate. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Butyronitrile, 4-(dimethylamino)-2-isopropyl-2-phenyl-, cyclohexane sulfamate. Following Lipinski's Rule of Five, Butyronitrile, 4-(dimethylamino)-2-isopropyl-2-phenyl-, cyclohexane sulfamate has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Butyronitrile, 4-(dimethylamino)-2-isopropyl-2-phenyl-, cyclohexane sulfamate?
The CAS number of Butyronitrile, 4-(dimethylamino)-2-isopropyl-2-phenyl-, cyclohexane sulfamate is 100700-37-6.
What is the molecular formula of Butyronitrile, 4-(dimethylamino)-2-isopropyl-2-phenyl-, cyclohexane sulfamate?
The molecular formula of Butyronitrile, 4-(dimethylamino)-2-isopropyl-2-phenyl-, cyclohexane sulfamate is C21H35N3O3S.
What is the molecular weight of Butyronitrile, 4-(dimethylamino)-2-isopropyl-2-phenyl-, cyclohexane sulfamate?
The molecular weight of Butyronitrile, 4-(dimethylamino)-2-isopropyl-2-phenyl-, cyclohexane sulfamate is 409.2399 g/mol.
Where can I buy Butyronitrile, 4-(dimethylamino)-2-isopropyl-2-phenyl-, cyclohexane sulfamate?
You can request a quote for Butyronitrile, 4-(dimethylamino)-2-isopropyl-2-phenyl-, cyclohexane sulfamate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Butyronitrile, 4-(dimethylamino)-2-isopropyl-2-phenyl-, cyclohexane sulfamate?
Yes, CoreyChem provides custom synthesis services for Butyronitrile, 4-(dimethylamino)-2-isopropyl-2-phenyl-, cyclohexane sulfamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.