(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 482.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(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
| Molecular Formula | C25H26N2O6S |
|---|---|
| Molecular Weight | 482.15 g/mol |
| LogP | 4.5219 |
| Topological Polar Surface Area | 114.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 482.15115 |
| Heavy Atoms | 34 |
| Complexity | 1150.9332 |
Chemical Identifiers
| CAS Number | 1025248-30-9 |
|---|---|
| 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 |
Product Overview
(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl) N,N'-bis(4-methoxybenzoyl)carbamimidothioate (CAS 1025248-30-9), with molecular formula C25H26N2O6S and molecular weight 482.15 g/mol. IUPAC: (2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl) N,N'-bis(4-methoxybenzoyl)carbamimidothioate.
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 4.5219 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 114.29 Ų falls within the moderate polarity range, balancing permeability and solubility for (2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl) N,N'-bis(4-methoxybenzoyl)carbamimidothioate. 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), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
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 482.15 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 KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl) N,N'-bis(4-methoxybenzoyl)carbamimidothioate?
Yes, KEHONG BIO 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.