2-(3,4-二氯苯基)-4-甲基-1,2,4-噁二唑烷-3,5-二酮
TL;DR: 2-(3,4-二氯苯基)-4-甲基-1,2,4-噁二唑烷-3,5-二酮 (CAS 20354-26-1) is a chemical compound with molecular formula C9H6Cl2N2O3 and molecular weight 259.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,4-二氯苯基)-4-甲基-1,2,4-噁二唑烷-3,5-二酮
2-(3,4-dichlorophenyl)-4-methyl-1,2,4-oxadiazolidine-3,5-dione
Also Known As: Methazole, Oxydiazol, Metazole, Bioxone, Paxilon
| Molecular Formula | C9H6Cl2N2O3 |
|---|---|
| Molecular Weight | 259.98 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 49.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 259.97556 |
| Heavy Atoms | 16 |
| Complexity | 326.0 |
| Melting Point | 123-124 °C |
| Boiling Point | Decomposes before boiling |
| Density | 1.24 at 25 °C |
| Solubility | @ 25 °C: 1.5 MG/L WATER, 40 G/L ACETONE, 6.5 G/L METHANOL, 55 G/L XYLENE |
| Vapor Pressure | 0.000001 [mmHg] |
Chemical Identifiers
| CAS Number | 20354-26-1 |
|---|---|
| SMILES | CN1C(=O)N(OC1=O)C2=CC(=C(C=C2)Cl)Cl |
| InChIKey | LRUUNMYPIBZBQH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(3,4-二氯苯基)-4-甲基-1,2,4-噁二唑烷-3,5-二酮 (CAS 20354-26-1), with molecular formula C9H6Cl2N2O3 and molecular weight 259.98 g/mol. IUPAC: 2-(3,4-dichlorophenyl)-4-methyl-1,2,4-oxadiazolidine-3,5-dione.
Chemical Property Profile of 2-(3,4-二氯苯基)-4-甲基-1,2,4-噁二唑烷-3,5-二酮
Property Insights of 2-(3,4-二氯苯基)-4-甲基-1,2,4-噁二唑烷-3,5-二酮
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3,4-二氯苯基)-4-甲基-1,2,4-噁二唑烷-3,5-二酮. With a topological polar surface area (TPSA) of 49.9 Ų, 2-(3,4-二氯苯基)-4-甲基-1,2,4-噁二唑烷-3,5-二酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 灭草定 has 0 hydrogen bond donor(s) and 3 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 灭草定?
The CAS number of 灭草定 is 20354-26-1.
What is the molecular formula of 灭草定?
The molecular formula of 灭草定 is C9H6Cl2N2O3.
What is the molecular weight of 灭草定?
The molecular weight of 灭草定 is 259.98 g/mol.
Where can I buy 灭草定?
You can request a quote for 灭草定 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 灭草定?
Yes, KEHONG BIO provides custom synthesis services for 灭草定 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.