![3-[2-chloro-5-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[3,2-d][1,2]oxazole structure](/static/products/6030/603067-93-2.webp)
3-[2-chloro-5-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[3,2-d][1,2]oxazole
TL;DR: 3-[2-chloro-5-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[3,2-d][1,2]oxazole (CAS 603067-93-2) is a chemical compound with molecular formula C12H8ClF3N2O and molecular weight 288.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-chloro-5-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[3,2-d][1,2]oxazole
Also Known As: 2-[2-chloro-5-(trifluoromethyl)phenyl]-4-oxa-3,6-diazabicyclo[3.3.0]octa-1,5-diene, 3-[2-chloro-5-(trifluoromethyl)phenyl]-4,5-dihydro-2H-pyrrolo[3,2-d][1,2]oxazole, 4H-PYRROLO[3,2-D]ISOXAZOLE, 3-[2-CHLORO-5-(TRIFLUOROMETHYL)PHENYL]-5,6-DIHYDRO-, 4H-Pyrrolo[3,2-d]isoxazole, 3-[2-chloro-5-(trifluoromethyl)phenyl]-5,6-dihydro- (9CI)
| Molecular Formula | C12H8ClF3N2O |
|---|---|
| Molecular Weight | 288.03 g/mol |
| LogP | 3.9818 |
| Topological Polar Surface Area | 38.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 288.0277 |
| Heavy Atoms | 19 |
| Complexity | 636.39014 |
Chemical Identifiers
| CAS Number | 603067-93-2 |
|---|---|
| SMILES | C1CNC2=C1C(=NO2)C3=C(C=CC(=C3)C(F)(F)F)Cl |
Product Overview
3-[2-chloro-5-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[3,2-d][1,2]oxazole (CAS 603067-93-2), with molecular formula C12H8ClF3N2O and molecular weight 288.03 g/mol. IUPAC: 3-[2-chloro-5-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[3,2-d][1,2]oxazole.
Chemical Property Profile of 3-[2-chloro-5-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[3,2-d][1,2]oxazole
Property Insights of 3-[2-chloro-5-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[3,2-d][1,2]oxazole
The XLogP value of 3.9818 indicates that 3-[2-chloro-5-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[3,2-d][1,2]oxazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.06 Ų, 3-[2-chloro-5-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[3,2-d][1,2]oxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[2-chloro-5-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[3,2-d][1,2]oxazole 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 3-[2-chloro-5-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[3,2-d][1,2]oxazole?
The CAS number of 3-[2-chloro-5-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[3,2-d][1,2]oxazole is 603067-93-2.
What is the molecular formula of 3-[2-chloro-5-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[3,2-d][1,2]oxazole?
The molecular formula of 3-[2-chloro-5-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[3,2-d][1,2]oxazole is C12H8ClF3N2O.
What is the molecular weight of 3-[2-chloro-5-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[3,2-d][1,2]oxazole?
The molecular weight of 3-[2-chloro-5-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[3,2-d][1,2]oxazole is 288.03 g/mol.
Where can I buy 3-[2-chloro-5-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[3,2-d][1,2]oxazole?
You can request a quote for 3-[2-chloro-5-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[3,2-d][1,2]oxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[2-chloro-5-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[3,2-d][1,2]oxazole?
Yes, KEHONG BIO provides custom synthesis services for 3-[2-chloro-5-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[3,2-d][1,2]oxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.