1-(4-Methylphenyl)-5-(pyridin-3-ylmethyl)-1,3,5-triazinane-2-thione
TL;DR: 1-(4-Methylphenyl)-5-(pyridin-3-ylmethyl)-1,3,5-triazinane-2-thione (CAS 799803-02-4) is a chemical compound with molecular formula C16H18N4S and molecular weight 298.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methylphenyl)-5-(pyridin-3-ylmethyl)-1,3,5-triazinane-2-thione
Also Known As: 1-(4-methylphenyl)-5-(pyridin-3-ylmethyl)-1,3,5-triazinane-2-thione, 5-Pyridin-3-ylmethyl-1-p-tolyl-[1,3,5]triazinane-2-thione, 5-(pyridin-3-ylmethyl)-1-(p-tolyl)-1,3,5-triazinane-2-thione
| Molecular Formula | C16H18N4S |
|---|---|
| Molecular Weight | 298.13 g/mol |
| LogP | 2.50172 |
| Topological Polar Surface Area | 31.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 298.1252 |
| Heavy Atoms | 21 |
| Complexity | 611.9339 |
Chemical Identifiers
| CAS Number | 799803-02-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2CN(CNC2=S)CC3=CN=CC=C3 |
Product Overview
1-(4-Methylphenyl)-5-(pyridin-3-ylmethyl)-1,3,5-triazinane-2-thione (CAS 799803-02-4), with molecular formula C16H18N4S and molecular weight 298.13 g/mol. IUPAC: 1-(4-methylphenyl)-5-(pyridin-3-ylmethyl)-1,3,5-triazinane-2-thione.
Chemical Property Profile of 1-(4-Methylphenyl)-5-(pyridin-3-ylmethyl)-1,3,5-triazinane-2-thione
Property Insights of 1-(4-Methylphenyl)-5-(pyridin-3-ylmethyl)-1,3,5-triazinane-2-thione
The XLogP value of 2.50172 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Methylphenyl)-5-(pyridin-3-ylmethyl)-1,3,5-triazinane-2-thione. With a topological polar surface area (TPSA) of 31.4 Ų, 1-(4-Methylphenyl)-5-(pyridin-3-ylmethyl)-1,3,5-triazinane-2-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Methylphenyl)-5-(pyridin-3-ylmethyl)-1,3,5-triazinane-2-thione has 1 hydrogen bond donor(s) and 3 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-(4-Methylphenyl)-5-(pyridin-3-ylmethyl)-1,3,5-triazinane-2-thione?
The CAS number of 1-(4-Methylphenyl)-5-(pyridin-3-ylmethyl)-1,3,5-triazinane-2-thione is 799803-02-4.
What is the molecular formula of 1-(4-Methylphenyl)-5-(pyridin-3-ylmethyl)-1,3,5-triazinane-2-thione?
The molecular formula of 1-(4-Methylphenyl)-5-(pyridin-3-ylmethyl)-1,3,5-triazinane-2-thione is C16H18N4S.
What is the molecular weight of 1-(4-Methylphenyl)-5-(pyridin-3-ylmethyl)-1,3,5-triazinane-2-thione?
The molecular weight of 1-(4-Methylphenyl)-5-(pyridin-3-ylmethyl)-1,3,5-triazinane-2-thione is 298.13 g/mol.
Where can I buy 1-(4-Methylphenyl)-5-(pyridin-3-ylmethyl)-1,3,5-triazinane-2-thione?
You can request a quote for 1-(4-Methylphenyl)-5-(pyridin-3-ylmethyl)-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-(4-Methylphenyl)-5-(pyridin-3-ylmethyl)-1,3,5-triazinane-2-thione?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Methylphenyl)-5-(pyridin-3-ylmethyl)-1,3,5-triazinane-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.