RefChem:368919
TL;DR: RefChem:368919 (CAS 117829-29-5) is a chemical compound with molecular formula C20H30ClN3OS and molecular weight 395.1798 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,6-ditert-butyl-4-(2-methyl-6,7-dihydro-2H-imidazo[2,1-b][1,3,4]thiadiazin-3-yl)phenol;hydrochloride
Also Known As: Phenol, 2,6-bis(1,1-dimethylethyl)-4-(6,7-dihydro-2-methyl-2H-imidazol(2,1-b)(1,3,4)thiadiazin-3-yl)-, hydrochloride, 2,6-Di-tert-butyl-4-(2-methyl-6,7-dihydro-2H-imidazo[2,1-b][1,3,4]thiadiazin-3(4H)-ylidene)cyclohexa-2,5-dien-1-one--hydrogen chloride (1/1), 2,6-ditert-butyl-4-(2-methyl-6,7-dihydro-4H-imidazo[2,1-b][1,3,4]thiadiazin-3-ylidene)cyclohexa-2,5-dien-1-one hydrochloride
Technical Specifications
| Molecular Formula | C20H30ClN3OS |
| Molecular Weight | 395.1798 g/mol |
| XLogP | 4.92 |
| Topological Polar Surface Area (TPSA) | 73.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 395.1798 Da |
| Heavy Atoms | 26 |
| Complexity | 548.0 |
| SMILES | CC1C(=NN2CCN=C2S1)C3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C.Cl |
| InChIKey | AKYYOAJNRVZAOE-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:368919
Property Insights of RefChem:368919
The XLogP value of 4.92 indicates that RefChem:368919 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.5 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:368919. Following Lipinski's Rule of Five, RefChem:368919 has 2 hydrogen bond donor(s) and 4 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:368919?
The CAS number of RefChem:368919 is 117829-29-5.
What is the molecular formula of RefChem:368919?
The molecular formula of RefChem:368919 is C20H30ClN3OS.
What is the molecular weight of RefChem:368919?
The molecular weight of RefChem:368919 is 395.1798 g/mol.
Where can I buy RefChem:368919?
You can request a quote for RefChem:368919 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:368919?
Yes, CoreyChem provides custom synthesis services for RefChem:368919 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.