RefChem:118733
TL;DR: RefChem:118733 (CAS 51943-58-9) is a chemical compound with molecular formula C18H21IN2OS and molecular weight 440.04193 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-ethyl-2-[3-(3-ethyl-4-methyl-1,3-thiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzoxazole iodide
Also Known As: 3-Ethyl-2-(3-(3-ethyl-4-methyl-3H-thiazol-2-ylidene)prop-1-enyl)benzoxazolium iodide, Benzoxazolium, 3-ethyl-2-(3-(3-ethyl-4-methyl-2(3H)-thiazolylidene)-1-propenyl)-, iodide, Benzoxazolium, 3-ethyl-2-(3-(3-ethyl-4-methyl-2(3H)-thiazolylidene)-1-propen-1-yl)-, iodide (1:1), Benzoxazolium, 3-ethyl-2-[3-(3-ethyl-4-methyl-2(3H)-thiazolylidene)-1-propenyl]-, iodide, 3-ETHYL-2-[3-(3-ETHYL-4-METHYL-3H-THIAZOL-2-YLIDENE)PROP-1-ENYL]BENZOXAZOLIUM IODIDE
Technical Specifications
| Molecular Formula | C18H21IN2OS |
| Molecular Weight | 440.04193 g/mol |
| XLogP | 1.14 |
| Topological Polar Surface Area (TPSA) | 44.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 440.04193 Da |
| Heavy Atoms | 23 |
| Complexity | 437.0 |
| SMILES | CCN1C2=CC=CC=C2OC1=CC=CC3=[N+](C(=CS3)C)CC.[I-] |
| InChIKey | FBXXAHZNQDZBIF-UHFFFAOYSA-M |
Chemical Property Profile of RefChem:118733
Property Insights of RefChem:118733
The XLogP value of 1.14 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:118733. With a topological polar surface area (TPSA) of 44.6 Ų, RefChem:118733 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:118733 has 0 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:118733?
The CAS number of RefChem:118733 is 51943-58-9.
What is the molecular formula of RefChem:118733?
The molecular formula of RefChem:118733 is C18H21IN2OS.
What is the molecular weight of RefChem:118733?
The molecular weight of RefChem:118733 is 440.04193 g/mol.
Where can I buy RefChem:118733?
You can request a quote for RefChem:118733 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:118733?
Yes, CoreyChem provides custom synthesis services for RefChem:118733 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.