Crufomate
TL;DR: Crufomate (CAS 299-86-5) is a chemical compound with molecular formula C12H19ClNO3P and molecular weight 291.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-tert-butyl-2-chlorophenoxy)-methoxyphosphoryl]methanamine
Also Known As: Crufomate, Montrel, RUELENE, Amidophos, Amidofos
| Molecular Formula | C12H19ClNO3P |
|---|---|
| Molecular Weight | 291.08 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 291.0791 |
| Heavy Atoms | 18 |
| Complexity | 319.0 |
| Melting Point | 60.0 °C |
| Boiling Point | Decomposes |
| Density | 1.16 |
| Solubility | Insoluble (NIOSH, 2024) |
| Vapor Pressure | 0.01 mmHg at 117.2 °C |
Chemical Identifiers
| CAS Number | 299-86-5 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=C(C=C1)OP(=O)(NC)OC)Cl |
| InChIKey | BOFHKBLZOYVHSI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Crufomate (CAS 299-86-5), with molecular formula C12H19ClNO3P and molecular weight 291.08 g/mol. IUPAC: N-[(4-tert-butyl-2-chlorophenoxy)-methoxyphosphoryl]methanamine.
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
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 291.08 g/mol.
Where can I buy Crufomate?
You can request a quote for Crufomate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Crufomate?
Yes, KEHONG BIO provides custom synthesis services for Crufomate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.