丙炔?草酮
TL;DR: 丙炔?草酮 (CAS 39807-15-3) is a chemical compound with molecular formula C15H14Cl2N2O3 and molecular weight 340.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
丙炔?草酮
5-tert-butyl-3-(2,4-dichloro-5-prop-2-ynoxyphenyl)-1,3,4-oxadiazol-2-one
Also Known As: Oxadiargyl, Topstar, Raft, oxadiargilo, Oxadiargyl [ISO]
| Molecular Formula | C15H14Cl2N2O3 |
|---|---|
| Molecular Weight | 340.04 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 51.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 340.03815 |
| Heavy Atoms | 22 |
| Complexity | 521.0 |
Chemical Identifiers
| CAS Number | 39807-15-3 |
|---|---|
| SMILES | CC(C)(C)C1=NN(C(=O)O1)C2=CC(=C(C=C2Cl)Cl)OCC#C |
| InChIKey | DVOODWOZJVJKQR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
丙炔?草酮 (CAS 39807-15-3), with molecular formula C15H14Cl2N2O3 and molecular weight 340.04 g/mol. IUPAC: 5-tert-butyl-3-(2,4-dichloro-5-prop-2-ynoxyphenyl)-1,3,4-oxadiazol-2-one.
Chemical Property Profile of 丙炔?草酮
Property Insights of 丙炔?草酮
The XLogP value of 4.1 indicates that 丙炔?草酮 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.1 Ų, 丙炔?草酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 丙炔?草酮 has 0 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 丙炔?草酮?
The CAS number of 丙炔?草酮 is 39807-15-3.
What is the molecular formula of 丙炔?草酮?
The molecular formula of 丙炔?草酮 is C15H14Cl2N2O3.
What is the molecular weight of 丙炔?草酮?
The molecular weight of 丙炔?草酮 is 340.04 g/mol.
Where can I buy 丙炔?草酮?
You can request a quote for 丙炔?草酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 丙炔?草酮?
Yes, KEHONG BIO provides custom synthesis services for 丙炔?草酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.