![4-[3,5-Di(trifluoromethyl)phenyl]-1,3,3a,4,7,7a-hexahydroisobenzofuran-1,3-dione structure](/static/products/6235/623578-58-5.webp)
4-[3,5-Di(trifluoromethyl)phenyl]-1,3,3a,4,7,7a-hexahydroisobenzofuran-1,3-dione
TL;DR: 4-[3,5-Di(trifluoromethyl)phenyl]-1,3,3a,4,7,7a-hexahydroisobenzofuran-1,3-dione (CAS 623578-58-5) is a chemical compound with molecular formula C16H10F6O3 and molecular weight 364.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3,5-bis(trifluoromethyl)phenyl]-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione
Also Known As: 4-[3,5-di(trifluoromethyl)phenyl]-1,3,3a,4,7,7a-hexahydroisobenzofuran-1,3-dione, 4-[3,5-bis(trifluoromethyl)phenyl]-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione, 4-[3,5-bis(trifluoromethyl)phenyl]-3a,4,7,7a-tetrahydroisobenzofuran-1,3-dione, 4-[3,5-di(trifluoromethyl)phenyl]-1,3,3a,4,7,7a-hexahydroisobenzo[b]furan-1,3-dione
| Molecular Formula | C16H10F6O3 |
|---|---|
| Molecular Weight | 364.05 g/mol |
| LogP | 4.0835 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 364.0534 |
| Heavy Atoms | 25 |
| Complexity | 729.8641 |
Chemical Identifiers
| CAS Number | 623578-58-5 |
|---|---|
| SMILES | C1C=CC(C2C1C(=O)OC2=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F |
Product Overview
4-[3,5-Di(trifluoromethyl)phenyl]-1,3,3a,4,7,7a-hexahydroisobenzofuran-1,3-dione (CAS 623578-58-5), with molecular formula C16H10F6O3 and molecular weight 364.05 g/mol. IUPAC: 4-[3,5-bis(trifluoromethyl)phenyl]-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione.
Chemical Property Profile of 4-[3,5-Di(trifluoromethyl)phenyl]-1,3,3a,4,7,7a-hexahydroisobenzofuran-1,3-dione
Property Insights of 4-[3,5-Di(trifluoromethyl)phenyl]-1,3,3a,4,7,7a-hexahydroisobenzofuran-1,3-dione
The XLogP value of 4.0835 indicates that 4-[3,5-Di(trifluoromethyl)phenyl]-1,3,3a,4,7,7a-hexahydroisobenzofuran-1,3-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.37 Ų, 4-[3,5-Di(trifluoromethyl)phenyl]-1,3,3a,4,7,7a-hexahydroisobenzofuran-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[3,5-Di(trifluoromethyl)phenyl]-1,3,3a,4,7,7a-hexahydroisobenzofuran-1,3-dione 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 4-[3,5-Di(trifluoromethyl)phenyl]-1,3,3a,4,7,7a-hexahydroisobenzofuran-1,3-dione?
The CAS number of 4-[3,5-Di(trifluoromethyl)phenyl]-1,3,3a,4,7,7a-hexahydroisobenzofuran-1,3-dione is 623578-58-5.
What is the molecular formula of 4-[3,5-Di(trifluoromethyl)phenyl]-1,3,3a,4,7,7a-hexahydroisobenzofuran-1,3-dione?
The molecular formula of 4-[3,5-Di(trifluoromethyl)phenyl]-1,3,3a,4,7,7a-hexahydroisobenzofuran-1,3-dione is C16H10F6O3.
What is the molecular weight of 4-[3,5-Di(trifluoromethyl)phenyl]-1,3,3a,4,7,7a-hexahydroisobenzofuran-1,3-dione?
The molecular weight of 4-[3,5-Di(trifluoromethyl)phenyl]-1,3,3a,4,7,7a-hexahydroisobenzofuran-1,3-dione is 364.05 g/mol.
Where can I buy 4-[3,5-Di(trifluoromethyl)phenyl]-1,3,3a,4,7,7a-hexahydroisobenzofuran-1,3-dione?
You can request a quote for 4-[3,5-Di(trifluoromethyl)phenyl]-1,3,3a,4,7,7a-hexahydroisobenzofuran-1,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[3,5-Di(trifluoromethyl)phenyl]-1,3,3a,4,7,7a-hexahydroisobenzofuran-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 4-[3,5-Di(trifluoromethyl)phenyl]-1,3,3a,4,7,7a-hexahydroisobenzofuran-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.