RefChem:268622
TL;DR: RefChem:268622 (CAS 117829-34-2) is a chemical compound with molecular formula C19H26BrN3O2S and molecular weight 439.0929 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(3,5-ditert-butyl-4-hydroxyphenyl)-2,7-dihydroimidazo[2,1-b][1,3,4]thiadiazin-6-one;hydrobromide
Also Known As: 3-(3,5-Di-t-butyl-4-hydroxyphenyl)-6-oxo-6,7-dihydro-2H-imidazo(2,1-b)(1,3,4)thiadiazine HBr, 2H-Imidazo(2,1-b)(1,3,4)thiadiazin-6(7H)-one, 3-(3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)-, hydrobromide, 3-(3,5-Di-tert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)-3,4-dihydro-2H-imidazo[2,1-b][1,3,4]thiadiazin-6(7H)-one--hydrogen bromide (1/1), 3-(3,5-Di-tert.butyl-4-hydroxyphenyl)-6-oxo-6,7-dihydro-2H-imidazo[2,1-b][1,3,4]thiadiazine hydrobromide, 3-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)-4,7-dihydroimidazo[2,1-b][1,3,4]thiadiazin-6-one hydrobromide
Technical Specifications
| Molecular Formula | C19H26BrN3O2S |
| Molecular Weight | 439.0929 g/mol |
| XLogP | 4.2142 |
| Topological Polar Surface Area (TPSA) | 90.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 439.0929 Da |
| Heavy Atoms | 26 |
| Complexity | 591.0 |
| SMILES | CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2=NN3C(=O)CN=C3SC2.Br |
| InChIKey | IDIMSSNAYBYOLY-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:268622
Property Insights of RefChem:268622
The XLogP value of 4.2142 indicates that RefChem:268622 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.6 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:268622. Following Lipinski's Rule of Five, RefChem:268622 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:268622?
The CAS number of RefChem:268622 is 117829-34-2.
What is the molecular formula of RefChem:268622?
The molecular formula of RefChem:268622 is C19H26BrN3O2S.
What is the molecular weight of RefChem:268622?
The molecular weight of RefChem:268622 is 439.0929 g/mol.
Where can I buy RefChem:268622?
You can request a quote for RefChem:268622 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:268622?
Yes, CoreyChem provides custom synthesis services for RefChem:268622 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.