Crufomate
TL;DR: Crufomate (CAS 299-86-5) is a chemical compound with molecular formula C12H19ClNO3P and molecular weight 291.0791 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[(4-tert-butyl-2-chlorophenoxy)-methoxyphosphoryl]methanamine
Also Known As: Crufomate, Montrel, RUELENE, Amidophos, Amidofos
Application Areas
Top 5 of 14 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H19ClNO3P |
| Molecular Weight | 291.0791 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 47.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 291.0791 Da |
| Heavy Atoms | 18 |
| Complexity | 319.0 |
| Melting Point | 140 °F (NIOSH, 2024) |
| Boiling Point | Decomposes (NIOSH, 2024) |
| Density | 1.16 (NIOSH, 2024) - Denser than water; will sink |
| Vapor Pressure | 0.01 mmHg at 243 °F (NIOSH, 2024) |
| Solubility | Insoluble (NIOSH, 2024) |
| SMILES | CC(C)(C)C1=CC(=C(C=C1)OP(=O)(NC)OC)Cl |
| InChIKey | BOFHKBLZOYVHSI-UHFFFAOYSA-N |
Product Description
Applications: Crufomate 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).
Crufomate (CAS 299-86-5) is a agrochemical intermediate with the molecular formula C12H19ClNO3P and a molecular weight of 291.08 g/mol. Key physical properties include a density of 1.16 (NIOSH, 2024) - Denser than water; will sink g/cm³, a solubility: Insoluble (NIOSH, 2024). Synonyms include Crufomate and Montrel.
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 Crufomate
Property Insights of Crufomate
The XLogP value of 3.4 indicates that Crufomate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.6 Ų, Crufomate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Crufomate has 1 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 Crufomate?
The CAS number of Crufomate is 299-86-5.
What is the molecular formula of Crufomate?
The molecular formula of Crufomate is C12H19ClNO3P.
What is the molecular weight of Crufomate?
The molecular weight of Crufomate is 291.0791 g/mol.
What are the applications of Crufomate?
Crufomate 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...
Where can I buy Crufomate?
You can request a quote for Crufomate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Crufomate?
Yes, CoreyChem provides custom synthesis services for Crufomate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.