1-(3-Chloro-4-fluorophenyl)-5-cyclohexyl-1,3,5-triazinane-2-thione
TL;DR: 1-(3-Chloro-4-fluorophenyl)-5-cyclohexyl-1,3,5-triazinane-2-thione (CAS 799795-68-9) is a chemical compound with molecular formula C15H19ClFN3S and molecular weight 327.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-chloro-4-fluorophenyl)-5-cyclohexyl-1,3,5-triazinane-2-thione
Also Known As: 1-(3-chloro-4-fluorophenyl)-5-cyclohexyl-1,3,5-triazinane-2-thione, 1-(3-chloro-4-fluoro-phenyl)-5-cyclohexyl-1,3,5-triazinane-2-thione
| Molecular Formula | C15H19ClFN3S |
|---|---|
| Molecular Weight | 327.10 g/mol |
| LogP | 3.7233 |
| Topological Polar Surface Area | 18.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 327.09723 |
| Heavy Atoms | 21 |
| Complexity | 533.6501 |
Chemical Identifiers
| CAS Number | 799795-68-9 |
|---|---|
| SMILES | C1CCC(CC1)N2CNC(=S)N(C2)C3=CC(=C(C=C3)F)Cl |
Product Overview
1-(3-Chloro-4-fluorophenyl)-5-cyclohexyl-1,3,5-triazinane-2-thione (CAS 799795-68-9), with molecular formula C15H19ClFN3S and molecular weight 327.10 g/mol. IUPAC: 1-(3-chloro-4-fluorophenyl)-5-cyclohexyl-1,3,5-triazinane-2-thione.
Chemical Property Profile of 1-(3-Chloro-4-fluorophenyl)-5-cyclohexyl-1,3,5-triazinane-2-thione
Property Insights of 1-(3-Chloro-4-fluorophenyl)-5-cyclohexyl-1,3,5-triazinane-2-thione
The XLogP value of 3.7233 indicates that 1-(3-Chloro-4-fluorophenyl)-5-cyclohexyl-1,3,5-triazinane-2-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.51 Ų, 1-(3-Chloro-4-fluorophenyl)-5-cyclohexyl-1,3,5-triazinane-2-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Chloro-4-fluorophenyl)-5-cyclohexyl-1,3,5-triazinane-2-thione has 1 hydrogen bond donor(s) and 2 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 1-(3-Chloro-4-fluorophenyl)-5-cyclohexyl-1,3,5-triazinane-2-thione?
The CAS number of 1-(3-Chloro-4-fluorophenyl)-5-cyclohexyl-1,3,5-triazinane-2-thione is 799795-68-9.
What is the molecular formula of 1-(3-Chloro-4-fluorophenyl)-5-cyclohexyl-1,3,5-triazinane-2-thione?
The molecular formula of 1-(3-Chloro-4-fluorophenyl)-5-cyclohexyl-1,3,5-triazinane-2-thione is C15H19ClFN3S.
What is the molecular weight of 1-(3-Chloro-4-fluorophenyl)-5-cyclohexyl-1,3,5-triazinane-2-thione?
The molecular weight of 1-(3-Chloro-4-fluorophenyl)-5-cyclohexyl-1,3,5-triazinane-2-thione is 327.10 g/mol.
Where can I buy 1-(3-Chloro-4-fluorophenyl)-5-cyclohexyl-1,3,5-triazinane-2-thione?
You can request a quote for 1-(3-Chloro-4-fluorophenyl)-5-cyclohexyl-1,3,5-triazinane-2-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Chloro-4-fluorophenyl)-5-cyclohexyl-1,3,5-triazinane-2-thione?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Chloro-4-fluorophenyl)-5-cyclohexyl-1,3,5-triazinane-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.