RefChem:1097482
TL;DR: RefChem:1097482 (CAS 142307-19-5) is a chemical compound with molecular formula C26H25N3O3S3 and molecular weight 523.10583 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2E,5E)-2-(2,3-dihydro-1H-pyrido[2,1-b][1,3]benzothiazol-10-ium-4-ylidene)-3-ethyl-5-(3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one acetate
Also Known As: Pyrido(2,1-b)benzothiazolium, 1,2,3,4-tetrahydro-4-(3-ethyl-5-(3-methyl-2(3H)-benzothiazolylidene)-4-oxo-2-thiazolidinylidene)-, acetate, 3-Pyrrolidinecarboxylic acid, 4-(4-methylphenyl)-, hydrochloride (1:1), (3R,4S)-rel-, 2-(2,3-dihydro-1H-pyrido[2,1-b][1,3]benzothiazol-4-yl)-3-ethyl-5-(3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazol-3-ium-4-one,acetate
Technical Specifications
| Molecular Formula | C26H25N3O3S3 |
| Molecular Weight | 523.10583 g/mol |
| XLogP | 2.4887 |
| Topological Polar Surface Area (TPSA) | 146.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 523.10583 Da |
| Heavy Atoms | 35 |
| Complexity | 852.0 |
| SMILES | CCN1/C(=C\2/CCC[N+]3=C2SC4=CC=CC=C43)/S/C(=C/5\N(C6=CC=CC=C6S5)C)/C1=O.CC(=O)[O-] |
| InChIKey | WTIOIMBUVPNNIZ-UUTNPJQJSA-M |
Chemical Property Profile of RefChem:1097482
Property Insights of RefChem:1097482
The XLogP value of 2.4887 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1097482. The TPSA of 146.0 Ų indicates high polarity, suggesting RefChem:1097482 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1097482 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:1097482?
The CAS number of RefChem:1097482 is 142307-19-5.
What is the molecular formula of RefChem:1097482?
The molecular formula of RefChem:1097482 is C26H25N3O3S3.
What is the molecular weight of RefChem:1097482?
The molecular weight of RefChem:1097482 is 523.10583 g/mol.
Where can I buy RefChem:1097482?
You can request a quote for RefChem:1097482 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1097482?
Yes, CoreyChem provides custom synthesis services for RefChem:1097482 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.