5-Octyl-1,3,5-triazinan-2-one
TL;DR: 5-Octyl-1,3,5-triazinan-2-one (CAS 79495-65-1) is a chemical compound with molecular formula C11H23N3O and molecular weight 213.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-octyl-1,3,5-triazinan-2-one
Also Known As: 5-octyl-1,3,5-triazinan-2-one, 3,3'-bis-(2-oxo-propyl)-3H,3'H-[1,1']biphthalazinyl-4,4'-dione
| Molecular Formula | C11H23N3O |
|---|---|
| Molecular Weight | 213.18 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 44.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 213.18411 |
| Heavy Atoms | 15 |
| Complexity | 175.0 |
Chemical Identifiers
| CAS Number | 79495-65-1 |
|---|---|
| SMILES | CCCCCCCCN1CNC(=O)NC1 |
| InChIKey | LSGYSYGGRZCKHK-UHFFFAOYSA-N |
Product Overview
5-Octyl-1,3,5-triazinan-2-one (CAS 79495-65-1), with molecular formula C11H23N3O and molecular weight 213.18 g/mol. IUPAC: 5-octyl-1,3,5-triazinan-2-one.
Chemical Property Profile of 5-Octyl-1,3,5-triazinan-2-one
Property Insights of 5-Octyl-1,3,5-triazinan-2-one
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Octyl-1,3,5-triazinan-2-one. With a topological polar surface area (TPSA) of 44.4 Ų, 5-Octyl-1,3,5-triazinan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Octyl-1,3,5-triazinan-2-one has 2 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-Octyl-1,3,5-triazinan-2-one?
The CAS number of 5-Octyl-1,3,5-triazinan-2-one is 79495-65-1.
What is the molecular formula of 5-Octyl-1,3,5-triazinan-2-one?
The molecular formula of 5-Octyl-1,3,5-triazinan-2-one is C11H23N3O.
What is the molecular weight of 5-Octyl-1,3,5-triazinan-2-one?
The molecular weight of 5-Octyl-1,3,5-triazinan-2-one is 213.18 g/mol.
Where can I buy 5-Octyl-1,3,5-triazinan-2-one?
You can request a quote for 5-Octyl-1,3,5-triazinan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Octyl-1,3,5-triazinan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 5-Octyl-1,3,5-triazinan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.