RefChem:1097362
TL;DR: RefChem:1097362 (CAS 142306-97-6) is a chemical compound with molecular formula C23H25N3O3S2 and molecular weight 455.13373 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2Z,5E)-3-ethyl-2-[(1-ethylpyridin-1-ium-2-yl)methylidene]-5-(3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one acetate
Also Known As: Pyridinium, 1-ethyl-2-((3-ethyl-5-(3-methyl-2(3H)-benzothiazolylidene)-4-oxo-2-thiazolidinylidene)methyl)-, acetate, 3-Pyrrolidinecarboxylic acid, 4-(4-methylphenyl)-, hydrochloride (1:1), (3R,4S)-rel-, (2Z,5E)-3-ethyl-2-[(1-ethylpyridin-1-ium-2-yl)methylidene]-5-(3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one acetate, 3-ethyl-2-[(1-ethylpyridin-1-ium-2-yl)methylidene]-5-(3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one,acetate
Technical Specifications
| Molecular Formula | C23H25N3O3S2 |
| Molecular Weight | 455.13373 g/mol |
| XLogP | 1.1299 |
| Topological Polar Surface Area (TPSA) | 118.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 455.13373 Da |
| Heavy Atoms | 31 |
| Complexity | 673.0 |
| SMILES | CCN1/C(=C/C2=CC=CC=[N+]2CC)/S/C(=C/3\N(C4=CC=CC=C4S3)C)/C1=O.CC(=O)[O-] |
| InChIKey | GCSSLZMDNUEHOX-UXJRWBAGSA-M |
Chemical Property Profile of RefChem:1097362
Property Insights of RefChem:1097362
The XLogP value of 1.1299 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1097362. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1097362. Following Lipinski's Rule of Five, RefChem:1097362 has 0 hydrogen bond donor(s) and 6 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:1097362?
The CAS number of RefChem:1097362 is 142306-97-6.
What is the molecular formula of RefChem:1097362?
The molecular formula of RefChem:1097362 is C23H25N3O3S2.
What is the molecular weight of RefChem:1097362?
The molecular weight of RefChem:1097362 is 455.13373 g/mol.
Where can I buy RefChem:1097362?
You can request a quote for RefChem:1097362 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1097362?
Yes, CoreyChem provides custom synthesis services for RefChem:1097362 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.