2-Methylbenzoselenazole
TL;DR: 2-Methylbenzoselenazole (CAS 2818-88-4) is a chemical compound with molecular formula C8H7NSe and molecular weight 196.97437 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methyl-1,3-benzoselenazole
Also Known As: 2-Methylbenzoselenazole, 2-Methylbenzselenazole, 2-methyl-1,3-benzoselenazole, 2-Methylbenzselenazol, Benzoselenazole,2-methyl-
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H7NSe |
| Molecular Weight | 196.97437 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 12.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 196.97437 Da |
| Heavy Atoms | 10 |
| Complexity | 126.0 |
| SMILES | CC1=NC2=CC=CC=C2[Se]1 |
| InChIKey | VYFYELQQECQPHU-UHFFFAOYSA-N |
Product Description
Applications: 2-Methylbenzoselenazole is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as imaging, photographic, and photosensitive formulations. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
2-Methylbenzoselenazole is a heterocyclic building block identified by CAS number 2818-88-4 and the molecular formula C8H7NSe and a molecular weight of 196.97 g/mol. Synonyms include 2-Methylbenzoselenazole and 2-Methylbenzselenazole.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 2-Methylbenzoselenazole
Property Insights of 2-Methylbenzoselenazole
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methylbenzoselenazole. With a topological polar surface area (TPSA) of 12.9 Ų, 2-Methylbenzoselenazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methylbenzoselenazole has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Methylbenzoselenazole?
The CAS number of 2-Methylbenzoselenazole is 2818-88-4.
What is the molecular formula of 2-Methylbenzoselenazole?
The molecular formula of 2-Methylbenzoselenazole is C8H7NSe.
What is the molecular weight of 2-Methylbenzoselenazole?
The molecular weight of 2-Methylbenzoselenazole is 196.97437 g/mol.
What are the applications of 2-Methylbenzoselenazole?
2-Methylbenzoselenazole is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as imaging, photographic, and photosensitive formulations. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item...
Where can I buy 2-Methylbenzoselenazole?
You can request a quote for 2-Methylbenzoselenazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Methylbenzoselenazole?
Yes, CoreyChem provides custom synthesis services for 2-Methylbenzoselenazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.