2,4-Oxazolidinedione, 3-(4-chloro-2-fluoro-5-((1-methyl-2-propyn-1-yl)oxy)phenyl)-5-(1-methylethylidene)-
TL;DR: 2,4-Oxazolidinedione, 3-(4-chloro-2-fluoro-5-((1-methyl-2-propyn-1-yl)oxy)phenyl)-5-(1-methylethylidene)- (CAS 110956-56-4) is a chemical compound with molecular formula C16H13ClFNO4 and molecular weight 337.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(5-but-3-yn-2-yloxy-4-chloro-2-fluorophenyl)-5-propan-2-ylidene-1,3-oxazolidine-2,4-dione
Also Known As: 2,4-Oxazolidinedione, 3-(4-chloro-2-fluoro-5-((1-methyl-2-propyn-1-yl)oxy)phenyl)-5-(1-methylethylidene)-, {2-fluoro-4-chloro-5-(1-butyn-3-yl)oxyphenyl}-5-isopropylidene-1,3-oxazolidine-2,4-dione, 3-(5-but-3-yn-2-yloxy-4-chloro-2-fluoro-phenyl)-5-propan-2-ylidene-1,3-oxazolidine-2,4-dione, 3-(5-but-3-yn-2-yloxy-4-chloro-2-fluorophenyl)-5-propan-2-ylidene-1,3-oxazolidine-2,4-dione, 3-[2-Fluoro-4-chloro-5-(1-methyl-2-propynyloxy)phenyl]-5-isopropylideneoxazolidine-2,4-dione
| Molecular Formula | C16H13ClFNO4 |
|---|---|
| Molecular Weight | 337.05 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 337.05173 |
| Heavy Atoms | 23 |
| Complexity | 592.0 |
Chemical Identifiers
| CAS Number | 110956-56-4 |
|---|---|
| SMILES | CC(C#C)OC1=C(C=C(C(=C1)N2C(=O)C(=C(C)C)OC2=O)F)Cl |
| InChIKey | LHXJAQGVFIEASH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4-Oxazolidinedione, 3-(4-chloro-2-fluoro-5-((1-methyl-2-propyn-1-yl)oxy)phenyl)-5-(1-methylethylidene)- (CAS 110956-56-4), with molecular formula C16H13ClFNO4 and molecular weight 337.05 g/mol. IUPAC: 3-(5-but-3-yn-2-yloxy-4-chloro-2-fluorophenyl)-5-propan-2-ylidene-1,3-oxazolidine-2,4-dione.
Chemical Property Profile of 2,4-Oxazolidinedione, 3-(4-chloro-2-fluoro-5-((1-methyl-2-propyn-1-yl)oxy)phenyl)-5-(1-methylethylidene)-
Property Insights of 2,4-Oxazolidinedione, 3-(4-chloro-2-fluoro-5-((1-methyl-2-propyn-1-yl)oxy)phenyl)-5-(1-methylethylidene)-
The XLogP value of 4.0 indicates that 2,4-Oxazolidinedione, 3-(4-chloro-2-fluoro-5-((1-methyl-2-propyn-1-yl)oxy)phenyl)-5-(1-methylethylidene)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.8 Ų, 2,4-Oxazolidinedione, 3-(4-chloro-2-fluoro-5-((1-methyl-2-propyn-1-yl)oxy)phenyl)-5-(1-methylethylidene)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Oxazolidinedione, 3-(4-chloro-2-fluoro-5-((1-methyl-2-propyn-1-yl)oxy)phenyl)-5-(1-methylethylidene)- has 0 hydrogen bond donor(s) and 5 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 2,4-Oxazolidinedione, 3-(4-chloro-2-fluoro-5-((1-methyl-2-propyn-1-yl)oxy)phenyl)-5-(1-methylethylidene)-?
The CAS number of 2,4-Oxazolidinedione, 3-(4-chloro-2-fluoro-5-((1-methyl-2-propyn-1-yl)oxy)phenyl)-5-(1-methylethylidene)- is 110956-56-4.
What is the molecular formula of 2,4-Oxazolidinedione, 3-(4-chloro-2-fluoro-5-((1-methyl-2-propyn-1-yl)oxy)phenyl)-5-(1-methylethylidene)-?
The molecular formula of 2,4-Oxazolidinedione, 3-(4-chloro-2-fluoro-5-((1-methyl-2-propyn-1-yl)oxy)phenyl)-5-(1-methylethylidene)- is C16H13ClFNO4.
What is the molecular weight of 2,4-Oxazolidinedione, 3-(4-chloro-2-fluoro-5-((1-methyl-2-propyn-1-yl)oxy)phenyl)-5-(1-methylethylidene)-?
The molecular weight of 2,4-Oxazolidinedione, 3-(4-chloro-2-fluoro-5-((1-methyl-2-propyn-1-yl)oxy)phenyl)-5-(1-methylethylidene)- is 337.05 g/mol.
Where can I buy 2,4-Oxazolidinedione, 3-(4-chloro-2-fluoro-5-((1-methyl-2-propyn-1-yl)oxy)phenyl)-5-(1-methylethylidene)-?
You can request a quote for 2,4-Oxazolidinedione, 3-(4-chloro-2-fluoro-5-((1-methyl-2-propyn-1-yl)oxy)phenyl)-5-(1-methylethylidene)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Oxazolidinedione, 3-(4-chloro-2-fluoro-5-((1-methyl-2-propyn-1-yl)oxy)phenyl)-5-(1-methylethylidene)-?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Oxazolidinedione, 3-(4-chloro-2-fluoro-5-((1-methyl-2-propyn-1-yl)oxy)phenyl)-5-(1-methylethylidene)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.