4,4',4''-(1,3,5-Triazinane-2,4,6-triylidene)tris(2,6-dimethylcyclohexa-2,5-dien-1-one)
TL;DR: 4,4',4''-(1,3,5-Triazinane-2,4,6-triylidene)tris(2,6-dimethylcyclohexa-2,5-dien-1-one) (CAS 38013-14-8) is a chemical compound with molecular formula C27H27N3O3 and molecular weight 441.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4,6-bis(4-hydroxy-3,5-dimethylphenyl)-1,3,5-triazin-2-yl]-2,6-dimethylphenol
Also Known As: 4,4',4''-(1,3,5-Triazinane-2,4,6-triylidene)tris(2,6-dimethylcyclohexa-2,5-dien-1-one), 4-[4,6-bis(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)-1, 4-[4,6-bis(3,5-dimethyl-4-oxo-1-cyclohexa-2,5-dienylidene)-1,3,5-triazinan-2-ylidene]-2,6-dimethyl-cyclohexa-2,5-dien-1-one, 4-[4,6-bis(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)-1,3,5-triazinan-2-ylidene]-2,6-dimethylcyclohexa-2,5-dien-1-one
| Molecular Formula | C27H27N3O3 |
|---|---|
| Molecular Weight | 441.21 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 99.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 441.20523 |
| Heavy Atoms | 33 |
| Complexity | 517.0 |
Chemical Identifiers
| CAS Number | 38013-14-8 |
|---|---|
| SMILES | CC1=CC(=CC(=C1O)C)C2=NC(=NC(=N2)C3=CC(=C(C(=C3)C)O)C)C4=CC(=C(C(=C4)C)O)C |
| InChIKey | VFMZIXLTYJUDEL-UHFFFAOYSA-N |
Product Overview
4,4',4''-(1,3,5-Triazinane-2,4,6-triylidene)tris(2,6-dimethylcyclohexa-2,5-dien-1-one) (CAS 38013-14-8), with molecular formula C27H27N3O3 and molecular weight 441.21 g/mol. IUPAC: 4-[4,6-bis(4-hydroxy-3,5-dimethylphenyl)-1,3,5-triazin-2-yl]-2,6-dimethylphenol.
Chemical Property Profile of 4,4',4''-(1,3,5-Triazinane-2,4,6-triylidene)tris(2,6-dimethylcyclohexa-2,5-dien-1-one)
Property Insights of 4,4',4''-(1,3,5-Triazinane-2,4,6-triylidene)tris(2,6-dimethylcyclohexa-2,5-dien-1-one)
The XLogP value of 6.1 indicates that 4,4',4''-(1,3,5-Triazinane-2,4,6-triylidene)tris(2,6-dimethylcyclohexa-2,5-dien-1-one) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,4',4''-(1,3,5-Triazinane-2,4,6-triylidene)tris(2,6-dimethylcyclohexa-2,5-dien-1-one). Following Lipinski's Rule of Five, 4,4',4''-(1,3,5-Triazinane-2,4,6-triylidene)tris(2,6-dimethylcyclohexa-2,5-dien-1-one) has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4,4',4''-(1,3,5-Triazinane-2,4,6-triylidene)tris(2,6-dimethylcyclohexa-2,5-dien-1-one)?
The CAS number of 4,4',4''-(1,3,5-Triazinane-2,4,6-triylidene)tris(2,6-dimethylcyclohexa-2,5-dien-1-one) is 38013-14-8.
What is the molecular formula of 4,4',4''-(1,3,5-Triazinane-2,4,6-triylidene)tris(2,6-dimethylcyclohexa-2,5-dien-1-one)?
The molecular formula of 4,4',4''-(1,3,5-Triazinane-2,4,6-triylidene)tris(2,6-dimethylcyclohexa-2,5-dien-1-one) is C27H27N3O3.
What is the molecular weight of 4,4',4''-(1,3,5-Triazinane-2,4,6-triylidene)tris(2,6-dimethylcyclohexa-2,5-dien-1-one)?
The molecular weight of 4,4',4''-(1,3,5-Triazinane-2,4,6-triylidene)tris(2,6-dimethylcyclohexa-2,5-dien-1-one) is 441.21 g/mol.
Where can I buy 4,4',4''-(1,3,5-Triazinane-2,4,6-triylidene)tris(2,6-dimethylcyclohexa-2,5-dien-1-one)?
You can request a quote for 4,4',4''-(1,3,5-Triazinane-2,4,6-triylidene)tris(2,6-dimethylcyclohexa-2,5-dien-1-one) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4',4''-(1,3,5-Triazinane-2,4,6-triylidene)tris(2,6-dimethylcyclohexa-2,5-dien-1-one)?
Yes, KEHONG BIO provides custom synthesis services for 4,4',4''-(1,3,5-Triazinane-2,4,6-triylidene)tris(2,6-dimethylcyclohexa-2,5-dien-1-one) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.