Ethyl 4-(5-cyclohexyl-2-thioxo-1,3,5-triazinan-1-yl)benzoate
TL;DR: Ethyl 4-(5-cyclohexyl-2-thioxo-1,3,5-triazinan-1-yl)benzoate (CAS 741287-76-3) is a chemical compound with molecular formula C18H25N3O2S and molecular weight 347.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(5-cyclohexyl-2-sulfanylidene-1,3,5-triazinan-1-yl)benzoate
Also Known As: ethyl 4-(5-cyclohexyl-2-thioxo-1,3,5-triazinan-1-yl)benzoate, 4-(5-Cyclohexyl-2-thioxo-[1,3,5]triazinan-1-yl)-benzoic acid ethyl ester, ethyl 4-(5-cyclohexyl-2-sulfanylidene-1,3,5-triazinan-1-yl)benzoate
| Molecular Formula | C18H25N3O2S |
|---|---|
| Molecular Weight | 347.17 g/mol |
| LogP | 3.1075 |
| Topological Polar Surface Area | 44.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 347.16675 |
| Heavy Atoms | 24 |
| Complexity | 584.4316 |
Chemical Identifiers
| CAS Number | 741287-76-3 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N2CN(CNC2=S)C3CCCCC3 |
Product Overview
Ethyl 4-(5-cyclohexyl-2-thioxo-1,3,5-triazinan-1-yl)benzoate (CAS 741287-76-3), with molecular formula C18H25N3O2S and molecular weight 347.17 g/mol. IUPAC: ethyl 4-(5-cyclohexyl-2-sulfanylidene-1,3,5-triazinan-1-yl)benzoate.
Chemical Property Profile of Ethyl 4-(5-cyclohexyl-2-thioxo-1,3,5-triazinan-1-yl)benzoate
Property Insights of Ethyl 4-(5-cyclohexyl-2-thioxo-1,3,5-triazinan-1-yl)benzoate
The XLogP value of 3.1075 indicates that Ethyl 4-(5-cyclohexyl-2-thioxo-1,3,5-triazinan-1-yl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.81 Ų, Ethyl 4-(5-cyclohexyl-2-thioxo-1,3,5-triazinan-1-yl)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-(5-cyclohexyl-2-thioxo-1,3,5-triazinan-1-yl)benzoate has 1 hydrogen bond donor(s) and 4 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 Ethyl 4-(5-cyclohexyl-2-thioxo-1,3,5-triazinan-1-yl)benzoate?
The CAS number of Ethyl 4-(5-cyclohexyl-2-thioxo-1,3,5-triazinan-1-yl)benzoate is 741287-76-3.
What is the molecular formula of Ethyl 4-(5-cyclohexyl-2-thioxo-1,3,5-triazinan-1-yl)benzoate?
The molecular formula of Ethyl 4-(5-cyclohexyl-2-thioxo-1,3,5-triazinan-1-yl)benzoate is C18H25N3O2S.
What is the molecular weight of Ethyl 4-(5-cyclohexyl-2-thioxo-1,3,5-triazinan-1-yl)benzoate?
The molecular weight of Ethyl 4-(5-cyclohexyl-2-thioxo-1,3,5-triazinan-1-yl)benzoate is 347.17 g/mol.
Where can I buy Ethyl 4-(5-cyclohexyl-2-thioxo-1,3,5-triazinan-1-yl)benzoate?
You can request a quote for Ethyl 4-(5-cyclohexyl-2-thioxo-1,3,5-triazinan-1-yl)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-(5-cyclohexyl-2-thioxo-1,3,5-triazinan-1-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(5-cyclohexyl-2-thioxo-1,3,5-triazinan-1-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.