ethyl 4-(3-cyclohexyl-3-(3-((5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino)propyl)thioureido)benzoate
TL;DR: ethyl 4-(3-cyclohexyl-3-(3-((5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino)propyl)thioureido)benzoate (CAS 433235-24-6) is a chemical compound with molecular formula C27H39N3O3S and molecular weight 485.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[cyclohexyl-[3-[(5,5-dimethyl-3-oxocyclohexen-1-yl)amino]propyl]carbamothioyl]amino]benzoate
Also Known As: ethyl 4-(3-cyclohexyl-3-(3-((5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino)propyl)thioureido)benzoate, ethyl 4-[(cyclohexyl{3-[(5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino]propyl}carbamothioyl)amino]benzoate, ethyl 4-[[cyclohexyl-[3-[(5,5-dimethyl-3-oxocyclohexen-1-yl)amino]propyl]carbamothioyl]amino]benzoate, ethyl 4-{[({3-[(5,5-dimethyl-3-oxocyclohex-1-enyl)amino]propyl}cyclohexylamino )thioxomethyl]amino}benzoate, ETHYL 4-{[CYCLOHEXYL({3-[(5,5-DIMETHYL-3-OXOCYCLOHEX-1-EN-1-YL)AMINO]PROPYL})CARBAMOTHIOYL]AMINO}BENZOATE
| Molecular Formula | C27H39N3O3S |
|---|---|
| Molecular Weight | 485.27 g/mol |
| LogP | 5.4475 |
| Topological Polar Surface Area | 70.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 485.2712 |
| Heavy Atoms | 34 |
| Complexity | 888.8863 |
Chemical Identifiers
| CAS Number | 433235-24-6 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=S)N(CCCNC2=CC(=O)CC(C2)(C)C)C3CCCCC3 |
Product Overview
ethyl 4-(3-cyclohexyl-3-(3-((5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino)propyl)thioureido)benzoate (CAS 433235-24-6), with molecular formula C27H39N3O3S and molecular weight 485.27 g/mol. IUPAC: ethyl 4-[[cyclohexyl-[3-[(5,5-dimethyl-3-oxocyclohexen-1-yl)amino]propyl]carbamothioyl]amino]benzoate.
Chemical Property Profile of ethyl 4-(3-cyclohexyl-3-(3-((5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino)propyl)thioureido)benzoate
Property Insights of ethyl 4-(3-cyclohexyl-3-(3-((5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino)propyl)thioureido)benzoate
The XLogP value of 5.4475 indicates that ethyl 4-(3-cyclohexyl-3-(3-((5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino)propyl)thioureido)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.67 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-(3-cyclohexyl-3-(3-((5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino)propyl)thioureido)benzoate. Following Lipinski's Rule of Five, ethyl 4-(3-cyclohexyl-3-(3-((5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino)propyl)thioureido)benzoate has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 4-(3-cyclohexyl-3-(3-((5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino)propyl)thioureido)benzoate?
The CAS number of ethyl 4-(3-cyclohexyl-3-(3-((5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino)propyl)thioureido)benzoate is 433235-24-6.
What is the molecular formula of ethyl 4-(3-cyclohexyl-3-(3-((5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino)propyl)thioureido)benzoate?
The molecular formula of ethyl 4-(3-cyclohexyl-3-(3-((5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino)propyl)thioureido)benzoate is C27H39N3O3S.
What is the molecular weight of ethyl 4-(3-cyclohexyl-3-(3-((5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino)propyl)thioureido)benzoate?
The molecular weight of ethyl 4-(3-cyclohexyl-3-(3-((5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino)propyl)thioureido)benzoate is 485.27 g/mol.
Where can I buy ethyl 4-(3-cyclohexyl-3-(3-((5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino)propyl)thioureido)benzoate?
You can request a quote for ethyl 4-(3-cyclohexyl-3-(3-((5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino)propyl)thioureido)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-(3-cyclohexyl-3-(3-((5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino)propyl)thioureido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-(3-cyclohexyl-3-(3-((5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino)propyl)thioureido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.