RefChem:368921
TL;DR: RefChem:368921 (CAS 117829-32-0) is a chemical compound with molecular formula C19H26N4OS and molecular weight 358.18274 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,6-ditert-butyl-4-(7-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl)phenol
Also Known As: 3-(3,5-Di-tert-butyl-4-hydroxyphenyl)-2-methyl-2H-s-triazolo(3,4-b)(1,3,4)thiadiazine, Phenol, 2,6-bis(1,1-dimethylethyl)-4-(7-methyl-7H-1,2,4-triazolo(3,4-b)(1,3,4)thiadiazin-6-yl)-, 2,6-Di-tert-butyl-4-(7-methyl-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6(7H)-ylidene)cyclohexa-2,5-dien-1-one, 2,6-ditert-butyl-4-(7-methyl-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-ylidene)cyclohexa-2,5-dien-1-one
Technical Specifications
| Molecular Formula | C19H26N4OS |
| Molecular Weight | 358.18274 g/mol |
| XLogP | 5.3 |
| Topological Polar Surface Area (TPSA) | 88.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 358.18274 Da |
| Heavy Atoms | 25 |
| Complexity | 500.0 |
| SMILES | CC1C(=NN2C=NN=C2S1)C3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C |
| InChIKey | ANOBJAPSGSWTFL-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:368921
Property Insights of RefChem:368921
The XLogP value of 5.3 indicates that RefChem:368921 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.6 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:368921. Following Lipinski's Rule of Five, RefChem:368921 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:368921?
The CAS number of RefChem:368921 is 117829-32-0.
What is the molecular formula of RefChem:368921?
The molecular formula of RefChem:368921 is C19H26N4OS.
What is the molecular weight of RefChem:368921?
The molecular weight of RefChem:368921 is 358.18274 g/mol.
Where can I buy RefChem:368921?
You can request a quote for RefChem:368921 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:368921?
Yes, CoreyChem provides custom synthesis services for RefChem:368921 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.