![4H-Pyrrolo[3,2-D]isoxazole, 5,6-dihydro-3-[4-(trifluoromethyl)phenyl]- structure](/static/products/6030/603067-90-9.webp)
4H-Pyrrolo[3,2-D]isoxazole, 5,6-dihydro-3-[4-(trifluoromethyl)phenyl]-
TL;DR: 4H-Pyrrolo[3,2-D]isoxazole, 5,6-dihydro-3-[4-(trifluoromethyl)phenyl]- (CAS 603067-90-9) is a chemical compound with molecular formula C12H9F3N2O and molecular weight 254.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[3,2-d][1,2]oxazole
Also Known As: 3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-2H-pyrrolo[3,2-d][1,2]oxazole, 2-[4-(trifluoromethyl)phenyl]-4-oxa-3,6-diazabicyclo[3.3.0]octa-1,5-diene, 4H-PYRROLO[3,2-D]ISOXAZOLE, 5,6-DIHYDRO-3-[4-(TRIFLUOROMETHYL)PHENYL]-, 4H-Pyrrolo[3,2-d]isoxazole, 5,6-dihydro-3-[4-(trifluoromethyl)phenyl]- (9CI)
| Molecular Formula | C12H9F3N2O |
|---|---|
| Molecular Weight | 254.07 g/mol |
| LogP | 3.3284 |
| Topological Polar Surface Area | 38.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 254.0667 |
| Heavy Atoms | 18 |
| Complexity | 571.9987 |
Chemical Identifiers
| CAS Number | 603067-90-9 |
|---|---|
| SMILES | C1CNC2=C1C(=NO2)C3=CC=C(C=C3)C(F)(F)F |
Product Overview
4H-Pyrrolo[3,2-D]isoxazole, 5,6-dihydro-3-[4-(trifluoromethyl)phenyl]- (CAS 603067-90-9), with molecular formula C12H9F3N2O and molecular weight 254.07 g/mol. IUPAC: 3-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[3,2-d][1,2]oxazole.
Chemical Property Profile of 4H-Pyrrolo[3,2-D]isoxazole, 5,6-dihydro-3-[4-(trifluoromethyl)phenyl]-
Property Insights of 4H-Pyrrolo[3,2-D]isoxazole, 5,6-dihydro-3-[4-(trifluoromethyl)phenyl]-
The XLogP value of 3.3284 indicates that 4H-Pyrrolo[3,2-D]isoxazole, 5,6-dihydro-3-[4-(trifluoromethyl)phenyl]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.06 Ų, 4H-Pyrrolo[3,2-D]isoxazole, 5,6-dihydro-3-[4-(trifluoromethyl)phenyl]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4H-Pyrrolo[3,2-D]isoxazole, 5,6-dihydro-3-[4-(trifluoromethyl)phenyl]- has 1 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 4H-Pyrrolo[3,2-D]isoxazole, 5,6-dihydro-3-[4-(trifluoromethyl)phenyl]-?
The CAS number of 4H-Pyrrolo[3,2-D]isoxazole, 5,6-dihydro-3-[4-(trifluoromethyl)phenyl]- is 603067-90-9.
What is the molecular formula of 4H-Pyrrolo[3,2-D]isoxazole, 5,6-dihydro-3-[4-(trifluoromethyl)phenyl]-?
The molecular formula of 4H-Pyrrolo[3,2-D]isoxazole, 5,6-dihydro-3-[4-(trifluoromethyl)phenyl]- is C12H9F3N2O.
What is the molecular weight of 4H-Pyrrolo[3,2-D]isoxazole, 5,6-dihydro-3-[4-(trifluoromethyl)phenyl]-?
The molecular weight of 4H-Pyrrolo[3,2-D]isoxazole, 5,6-dihydro-3-[4-(trifluoromethyl)phenyl]- is 254.07 g/mol.
Where can I buy 4H-Pyrrolo[3,2-D]isoxazole, 5,6-dihydro-3-[4-(trifluoromethyl)phenyl]-?
You can request a quote for 4H-Pyrrolo[3,2-D]isoxazole, 5,6-dihydro-3-[4-(trifluoromethyl)phenyl]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4H-Pyrrolo[3,2-D]isoxazole, 5,6-dihydro-3-[4-(trifluoromethyl)phenyl]-?
Yes, KEHONG BIO provides custom synthesis services for 4H-Pyrrolo[3,2-D]isoxazole, 5,6-dihydro-3-[4-(trifluoromethyl)phenyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.