![N-(4-Isothiocyanatobenzyl)-4-[5-(4-methoxyphenyl)-2-oxazolyl]pyridinium bromide structure](/static/products/155/155862-90-1.webp)
N-(4-Isothiocyanatobenzyl)-4-[5-(4-methoxyphenyl)-2-oxazolyl]pyridinium bromide
TL;DR: N-(4-Isothiocyanatobenzyl)-4-[5-(4-methoxyphenyl)-2-oxazolyl]pyridinium bromide (CAS 155862-90-1) is a chemical compound with molecular formula C23H18BrN3O2S and molecular weight 479.0303 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[1-[(4-isothiocyanatophenyl)methyl]pyridin-1-ium-4-yl]-5-(4-methoxyphenyl)-1,3-oxazole bromide
Also Known As: N-(4-Isothiocyanatobenzyl)-4-[5-(4-methoxyphenyl)-2-oxazolyl]pyridinium bromide, 1-[(4-ISOTHIOCYANATOPHENYL)METHYL]-4-[5-(4-METHOXYPHENYL)-1,3-OXAZOL-2-YL]PYRIDIN-1-IUM BROMIDE, Pyridinium, 1-[(4-isothiocyanatophenyl)methyl]-4-[5-(4-methoxyphenyl)-2-oxazolyl]-, bromide (1:1), 2-[1-[(4-isothiocyanatophenyl)methyl]pyridin-1-ium-4-yl]-5-(4-methoxyphenyl)-1,3-oxazole;bromide, 1-(4-Isothiocyanatobenzyl)-4-(5-(4-methoxyphenyl)oxazol-2-yl)pyridin-1-ium bromide
Technical Specifications
| Molecular Formula | C23H18BrN3O2S |
| Molecular Weight | 479.0303 g/mol |
| XLogP | 2.0913 |
| Topological Polar Surface Area (TPSA) | 83.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 479.0303 Da |
| Heavy Atoms | 30 |
| Complexity | 546.0 |
| SMILES | COC1=CC=C(C=C1)C2=CN=C(O2)C3=CC=[N+](C=C3)CC4=CC=C(C=C4)N=C=S.[Br-] |
| InChIKey | DMAVLRVUKGJFEU-UHFFFAOYSA-M |
Chemical Property Profile of N-(4-Isothiocyanatobenzyl)-4-[5-(4-methoxyphenyl)-2-oxazolyl]pyridinium bromide
Property Insights of N-(4-Isothiocyanatobenzyl)-4-[5-(4-methoxyphenyl)-2-oxazolyl]pyridinium bromide
The XLogP value of 2.0913 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-Isothiocyanatobenzyl)-4-[5-(4-methoxyphenyl)-2-oxazolyl]pyridinium bromide. The TPSA of 83.6 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-Isothiocyanatobenzyl)-4-[5-(4-methoxyphenyl)-2-oxazolyl]pyridinium bromide. Following Lipinski's Rule of Five, N-(4-Isothiocyanatobenzyl)-4-[5-(4-methoxyphenyl)-2-oxazolyl]pyridinium bromide 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 N-(4-Isothiocyanatobenzyl)-4-[5-(4-methoxyphenyl)-2-oxazolyl]pyridinium bromide?
The CAS number of N-(4-Isothiocyanatobenzyl)-4-[5-(4-methoxyphenyl)-2-oxazolyl]pyridinium bromide is 155862-90-1.
What is the molecular formula of N-(4-Isothiocyanatobenzyl)-4-[5-(4-methoxyphenyl)-2-oxazolyl]pyridinium bromide?
The molecular formula of N-(4-Isothiocyanatobenzyl)-4-[5-(4-methoxyphenyl)-2-oxazolyl]pyridinium bromide is C23H18BrN3O2S.
What is the molecular weight of N-(4-Isothiocyanatobenzyl)-4-[5-(4-methoxyphenyl)-2-oxazolyl]pyridinium bromide?
The molecular weight of N-(4-Isothiocyanatobenzyl)-4-[5-(4-methoxyphenyl)-2-oxazolyl]pyridinium bromide is 479.0303 g/mol.
Where can I buy N-(4-Isothiocyanatobenzyl)-4-[5-(4-methoxyphenyl)-2-oxazolyl]pyridinium bromide?
You can request a quote for N-(4-Isothiocyanatobenzyl)-4-[5-(4-methoxyphenyl)-2-oxazolyl]pyridinium bromide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(4-Isothiocyanatobenzyl)-4-[5-(4-methoxyphenyl)-2-oxazolyl]pyridinium bromide?
Yes, CoreyChem provides custom synthesis services for N-(4-Isothiocyanatobenzyl)-4-[5-(4-methoxyphenyl)-2-oxazolyl]pyridinium bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.