(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl) N,N'-bis(4-methoxybenzoyl)carbamimidothioate
TL;DR: (2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl) N,N'-bis(4-methoxybenzoyl)carbamimidothioate (CAS 1025248-30-9) is a chemical compound with molecular formula C25H26N2O6S and molecular weight 482.15115 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl) N,N'-bis(4-methoxybenzoyl)carbamimidothioate
Also Known As: (2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl) N,N'-bis(4-methoxybenzoyl)carbamimidothioate, N-(2-aza-1-(6-hydroxy-4,4-dimethyl-2-oxocyclohex-1-enylthio)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl)(4-methoxyphenyl)formamide, N-[C-(2-hydroxy-4,4-dimethyl-6-oxo-cyclohexen-1-yl)sulfanyl-N-(4-methoxybenzoyl)carbonimidoyl]-4-methoxy-benzamide, N-{[(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)sulfanyl][(4-methoxybenzoyl)imino]methyl}-4-methoxybenzamide
Technical Specifications
| Molecular Formula | C25H26N2O6S |
| Molecular Weight | 482.15115 g/mol |
| XLogP | 5.1 |
| Topological Polar Surface Area (TPSA) | 140.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 482.15115 Da |
| Heavy Atoms | 34 |
| Complexity | 836.0 |
| SMILES | CC1(CC(=C(C(=O)C1)SC(=NC(=O)C2=CC=C(C=C2)OC)NC(=O)C3=CC=C(C=C3)OC)O)C |
| InChIKey | TXZBPATXVXUTRW-UHFFFAOYSA-N |
Chemical Property Profile of (2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl) N,N'-bis(4-methoxybenzoyl)carbamimidothioate
Property Insights of (2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl) N,N'-bis(4-methoxybenzoyl)carbamimidothioate
The XLogP value of 5.1 indicates that (2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl) N,N'-bis(4-methoxybenzoyl)carbamimidothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 140.0 Ų indicates high polarity, suggesting (2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl) N,N'-bis(4-methoxybenzoyl)carbamimidothioate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl) N,N'-bis(4-methoxybenzoyl)carbamimidothioate has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of (2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl) N,N'-bis(4-methoxybenzoyl)carbamimidothioate?
The CAS number of (2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl) N,N'-bis(4-methoxybenzoyl)carbamimidothioate is 1025248-30-9.
What is the molecular formula of (2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl) N,N'-bis(4-methoxybenzoyl)carbamimidothioate?
The molecular formula of (2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl) N,N'-bis(4-methoxybenzoyl)carbamimidothioate is C25H26N2O6S.
What is the molecular weight of (2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl) N,N'-bis(4-methoxybenzoyl)carbamimidothioate?
The molecular weight of (2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl) N,N'-bis(4-methoxybenzoyl)carbamimidothioate is 482.15115 g/mol.
Where can I buy (2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl) N,N'-bis(4-methoxybenzoyl)carbamimidothioate?
You can request a quote for (2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl) N,N'-bis(4-methoxybenzoyl)carbamimidothioate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl) N,N'-bis(4-methoxybenzoyl)carbamimidothioate?
Yes, CoreyChem provides custom synthesis services for (2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl) N,N'-bis(4-methoxybenzoyl)carbamimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.