异恶草酮
TL;DR: 异恶草酮 (CAS 81777-89-1) is a chemical compound with molecular formula C12H14ClNO2 and molecular weight 239.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
异恶草酮
2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one
Also Known As: Clomazone, Dimethazone, Command, Gamit, Magister
| Molecular Formula | C12H14ClNO2 |
|---|---|
| Molecular Weight | 239.07 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 239.0713 |
| Heavy Atoms | 16 |
| Complexity | 280.0 |
| Melting Point | 25 °C |
| Boiling Point | 275 °C |
| Density | 1.192 at 25 °C |
| Solubility | Readily soluble in acetonitrile, hexane, dioxane, xylene |
| Flash Point | 4 /emulsifiable concentrates/: 106-78.3 °C /(41.11-42.78 °C)/ (Closed cup) |
| Vapor Pressure | 0.00014 [mmHg] |
Chemical Identifiers
| CAS Number | 81777-89-1 |
|---|---|
| SMILES | CC1(CON(C1=O)CC2=CC=CC=C2Cl)C |
| InChIKey | KIEDNEWSYUYDSN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
异恶草酮 (CAS 81777-89-1), with molecular formula C12H14ClNO2 and molecular weight 239.07 g/mol. IUPAC: 2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one.
Chemical Property Profile of 异恶草酮
Property Insights of 异恶草酮
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 异恶草酮. With a topological polar surface area (TPSA) of 29.5 Ų, 异恶草酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 异恶草酮 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 异恶草酮?
The CAS number of 异恶草酮 is 81777-89-1.
What is the molecular formula of 异恶草酮?
The molecular formula of 异恶草酮 is C12H14ClNO2.
What is the molecular weight of 异恶草酮?
The molecular weight of 异恶草酮 is 239.07 g/mol.
Where can I buy 异恶草酮?
You can request a quote for 异恶草酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 异恶草酮?
Yes, KEHONG BIO provides custom synthesis services for 异恶草酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.