5-Butyl-1-(3-chloro-4-fluorophenyl)-1,3,5-triazinane-2-thione
TL;DR: 5-Butyl-1-(3-chloro-4-fluorophenyl)-1,3,5-triazinane-2-thione (CAS 799793-59-2) is a chemical compound with molecular formula C13H17ClFN3S and molecular weight 301.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-butyl-1-(3-chloro-4-fluorophenyl)-1,3,5-triazinane-2-thione
Also Known As: 5-butyl-1-(3-chloro-4-fluorophenyl)-1,3,5-triazinane-2-thione, 5-butyl-1-(3-chloro-4-fluoro-phenyl)-1,3,5-triazinane-2-thione
| Molecular Formula | C13H17ClFN3S |
|---|---|
| Molecular Weight | 301.08 g/mol |
| LogP | 3.1907 |
| Topological Polar Surface Area | 18.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 301.08157 |
| Heavy Atoms | 19 |
| Complexity | 469.2016 |
Chemical Identifiers
| CAS Number | 799793-59-2 |
|---|---|
| SMILES | CCCCN1CNC(=S)N(C1)C2=CC(=C(C=C2)F)Cl |
Product Overview
5-Butyl-1-(3-chloro-4-fluorophenyl)-1,3,5-triazinane-2-thione (CAS 799793-59-2), with molecular formula C13H17ClFN3S and molecular weight 301.08 g/mol. IUPAC: 5-butyl-1-(3-chloro-4-fluorophenyl)-1,3,5-triazinane-2-thione.
Chemical Property Profile of 5-Butyl-1-(3-chloro-4-fluorophenyl)-1,3,5-triazinane-2-thione
Property Insights of 5-Butyl-1-(3-chloro-4-fluorophenyl)-1,3,5-triazinane-2-thione
The XLogP value of 3.1907 indicates that 5-Butyl-1-(3-chloro-4-fluorophenyl)-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, 5-Butyl-1-(3-chloro-4-fluorophenyl)-1,3,5-triazinane-2-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Butyl-1-(3-chloro-4-fluorophenyl)-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 5-Butyl-1-(3-chloro-4-fluorophenyl)-1,3,5-triazinane-2-thione?
The CAS number of 5-Butyl-1-(3-chloro-4-fluorophenyl)-1,3,5-triazinane-2-thione is 799793-59-2.
What is the molecular formula of 5-Butyl-1-(3-chloro-4-fluorophenyl)-1,3,5-triazinane-2-thione?
The molecular formula of 5-Butyl-1-(3-chloro-4-fluorophenyl)-1,3,5-triazinane-2-thione is C13H17ClFN3S.
What is the molecular weight of 5-Butyl-1-(3-chloro-4-fluorophenyl)-1,3,5-triazinane-2-thione?
The molecular weight of 5-Butyl-1-(3-chloro-4-fluorophenyl)-1,3,5-triazinane-2-thione is 301.08 g/mol.
Where can I buy 5-Butyl-1-(3-chloro-4-fluorophenyl)-1,3,5-triazinane-2-thione?
You can request a quote for 5-Butyl-1-(3-chloro-4-fluorophenyl)-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 5-Butyl-1-(3-chloro-4-fluorophenyl)-1,3,5-triazinane-2-thione?
Yes, KEHONG BIO provides custom synthesis services for 5-Butyl-1-(3-chloro-4-fluorophenyl)-1,3,5-triazinane-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.