1,3-Isobenzofurandione,5-(2-propynyloxy)
TL;DR: 1,3-Isobenzofurandione,5-(2-propynyloxy) (CAS 27052-73-9) is a chemical compound with molecular formula C14H12F3NO3 and molecular weight 299.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(prop-2-ynoxymethyl)-3-[2-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
Also Known As: 1,3-Isobenzofurandione,5-(2-propynyloxy), 5-[ methyl]-3-[2- phenyl]-2-oxazolidinone, 5-(2-Propynyloxymethyl)-3-(alpha,alpha,alpha-trifluoro-m-tolyl)-2-oxazolidinone, 5-(2-Propynyloxymethyl)-3-(alpha,alpha,alpha-trifluoro-o-tolyl)-2-oxazolidinone, 2-Oxazolidinone, 5-(2-propynyloxymethyl)-3-(alpha,alpha,alpha-trifluoro-m-tolyl)-
| Molecular Formula | C14H12F3NO3 |
|---|---|
| Molecular Weight | 299.08 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 299.07693 |
| Heavy Atoms | 21 |
| Complexity | 429.0 |
Chemical Identifiers
| CAS Number | 27052-73-9 |
|---|---|
| SMILES | C#CCOCC1CN(C(=O)O1)C2=CC=CC=C2C(F)(F)F |
| InChIKey | DGKUYYCJMJSENE-UHFFFAOYSA-N |
Product Overview
1,3-Isobenzofurandione,5-(2-propynyloxy) (CAS 27052-73-9), with molecular formula C14H12F3NO3 and molecular weight 299.08 g/mol. IUPAC: 5-(prop-2-ynoxymethyl)-3-[2-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one.
Chemical Property Profile of 1,3-Isobenzofurandione,5-(2-propynyloxy)
Property Insights of 1,3-Isobenzofurandione,5-(2-propynyloxy)
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Isobenzofurandione,5-(2-propynyloxy). With a topological polar surface area (TPSA) of 38.8 Ų, 1,3-Isobenzofurandione,5-(2-propynyloxy) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Isobenzofurandione,5-(2-propynyloxy) has 0 hydrogen bond donor(s) and 6 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 1,3-Isobenzofurandione,5-(2-propynyloxy)?
The CAS number of 1,3-Isobenzofurandione,5-(2-propynyloxy) is 27052-73-9.
What is the molecular formula of 1,3-Isobenzofurandione,5-(2-propynyloxy)?
The molecular formula of 1,3-Isobenzofurandione,5-(2-propynyloxy) is C14H12F3NO3.
What is the molecular weight of 1,3-Isobenzofurandione,5-(2-propynyloxy)?
The molecular weight of 1,3-Isobenzofurandione,5-(2-propynyloxy) is 299.08 g/mol.
Where can I buy 1,3-Isobenzofurandione,5-(2-propynyloxy)?
You can request a quote for 1,3-Isobenzofurandione,5-(2-propynyloxy) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Isobenzofurandione,5-(2-propynyloxy)?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Isobenzofurandione,5-(2-propynyloxy) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.