异丙甲草胺
TL;DR: 异丙甲草胺 (CAS 51218-45-2) is a chemical compound with molecular formula C15H22ClNO2 and molecular weight 283.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
异丙甲草胺
2-chloro-N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)acetamide
Also Known As: metolachlor, Pennant, Codal, Dual, Yibingjiacaoan
| Molecular Formula | C15H22ClNO2 |
|---|---|
| Molecular Weight | 283.13 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 283.1339 |
| Heavy Atoms | 19 |
| Complexity | 285.0 |
| Melting Point | -62.1 °C |
| Boiling Point | 100.0 °C at 0.001 mmHg |
| Density | 1.12 |
| Solubility | Miscible with benzene, toluene, ethanol, acetone, xylene, hexane, dimethylformamide, dichloroethane, cyclohexanone, methanol, octanol, and dichloromethane. Insoluble in ethylene glycol, propylene glycol, and petroleum ether. |
| Flash Point | greater than 110.0 °C |
| Vapor Pressure | 0.0000314 [mmHg] |
| Refractive Index | 1.5301 at 20 °C |
Chemical Identifiers
| CAS Number | 51218-45-2 |
|---|---|
| SMILES | CCC1=CC=CC(=C1N(C(C)COC)C(=O)CCl)C |
| InChIKey | WVQBLGZPHOPPFO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
异丙甲草胺 (CAS 51218-45-2), with molecular formula C15H22ClNO2 and molecular weight 283.13 g/mol. IUPAC: 2-chloro-N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)acetamide.
Chemical Property Profile of 异丙甲草胺
Property Insights of 异丙甲草胺
The XLogP value of 3.1 indicates that 异丙甲草胺 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, 异丙甲草胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 异丙甲草胺 has 0 hydrogen bond donor(s) and 2 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 异丙甲草胺?
The CAS number of 异丙甲草胺 is 51218-45-2.
What is the molecular formula of 异丙甲草胺?
The molecular formula of 异丙甲草胺 is C15H22ClNO2.
What is the molecular weight of 异丙甲草胺?
The molecular weight of 异丙甲草胺 is 283.13 g/mol.
Where can I buy 异丙甲草胺?
You can request a quote for 异丙甲草胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 异丙甲草胺?
Yes, KEHONG BIO provides custom synthesis services for 异丙甲草胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.