Isocil
TL;DR: Isocil (CAS 314-42-1) is a chemical compound with molecular formula C8H11BrN2O2 and molecular weight 246.0004 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-bromo-6-methyl-3-propan-2-yl-1H-pyrimidine-2,4-dione
Also Known As: ISOCIL, Hyvar, Isoprocil, Herbicide 82, Lorox
Application Areas
Top 5 of 13 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H11BrN2O2 |
| Molecular Weight | 246.0004 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 49.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 246.0004 Da |
| Heavy Atoms | 13 |
| Complexity | 297.0 |
| SMILES | CC1=C(C(=O)N(C(=O)N1)C(C)C)Br |
| InChIKey | PSYBGEADHLUXCS-UHFFFAOYSA-N |
Product Description
Applications: Isocil is used in agrochemical development, including crop protection agent synthesis, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. 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).
Isocil is a agrochemical intermediate identified by CAS number 314-42-1 and the molecular formula C8H11BrN2O2 and a molecular weight of 246 g/mol. Synonyms include ISOCIL and Hyvar.
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 Isocil
Property Insights of Isocil
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isocil. With a topological polar surface area (TPSA) of 49.4 Ų, Isocil exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isocil has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Isocil?
The CAS number of Isocil is 314-42-1.
What is the molecular formula of Isocil?
The molecular formula of Isocil is C8H11BrN2O2.
What is the molecular weight of Isocil?
The molecular weight of Isocil is 246.0004 g/mol.
What are the applications of Isocil?
Isocil is used in agrochemical development, including crop protection agent synthesis, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy Isocil?
You can request a quote for Isocil directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Isocil?
Yes, CoreyChem provides custom synthesis services for Isocil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.