![3-Phenyl-5,6-dihydro-4H-pyrrolo[3,2-d]isoxazole structure](/static/products/6030/603067-14-7.webp)
3-Phenyl-5,6-dihydro-4H-pyrrolo[3,2-d]isoxazole
TL;DR: 3-Phenyl-5,6-dihydro-4H-pyrrolo[3,2-d]isoxazole (CAS 603067-14-7) is a chemical compound with molecular formula C11H10N2O and molecular weight 186.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenyl-5,6-dihydro-4H-pyrrolo[3,2-d][1,2]oxazole
Also Known As: 3-Phenyl-5,6-dihydro-4H-pyrrolo[3,2-d]isoxazole, 4H-Pyrrolo[3,2-d]isoxazole,5,6-dihydro-3-phenyl-(9CI), 3-phenyl-4,5-dihydro-2H-pyrrolo[3,2-d][1,2]oxazole, 2-phenyl-4-oxa-3,6-diazabicyclo[3.3.0]octa-1,5-diene, 4H-PYRROLO[3,2-D]ISOXAZOLE, 5,6-DIHYDRO-3-PHENYL-
| Molecular Formula | C11H10N2O |
|---|---|
| Molecular Weight | 186.08 g/mol |
| LogP | 2.3096 |
| Topological Polar Surface Area | 38.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 186.07932 |
| Heavy Atoms | 14 |
| Complexity | 447.566 |
Chemical Identifiers
| CAS Number | 603067-14-7 |
|---|---|
| SMILES | C1CNC2=C1C(=NO2)C3=CC=CC=C3 |
Product Overview
3-Phenyl-5,6-dihydro-4H-pyrrolo[3,2-d]isoxazole (CAS 603067-14-7), with molecular formula C11H10N2O and molecular weight 186.08 g/mol. IUPAC: 3-phenyl-5,6-dihydro-4H-pyrrolo[3,2-d][1,2]oxazole.
Chemical Property Profile of 3-Phenyl-5,6-dihydro-4H-pyrrolo[3,2-d]isoxazole
Property Insights of 3-Phenyl-5,6-dihydro-4H-pyrrolo[3,2-d]isoxazole
The XLogP value of 2.3096 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Phenyl-5,6-dihydro-4H-pyrrolo[3,2-d]isoxazole. With a topological polar surface area (TPSA) of 38.06 Ų, 3-Phenyl-5,6-dihydro-4H-pyrrolo[3,2-d]isoxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Phenyl-5,6-dihydro-4H-pyrrolo[3,2-d]isoxazole 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-Phenyl-5,6-dihydro-4H-pyrrolo[3,2-d]isoxazole?
The CAS number of 3-Phenyl-5,6-dihydro-4H-pyrrolo[3,2-d]isoxazole is 603067-14-7.
What is the molecular formula of 3-Phenyl-5,6-dihydro-4H-pyrrolo[3,2-d]isoxazole?
The molecular formula of 3-Phenyl-5,6-dihydro-4H-pyrrolo[3,2-d]isoxazole is C11H10N2O.
What is the molecular weight of 3-Phenyl-5,6-dihydro-4H-pyrrolo[3,2-d]isoxazole?
The molecular weight of 3-Phenyl-5,6-dihydro-4H-pyrrolo[3,2-d]isoxazole is 186.08 g/mol.
Where can I buy 3-Phenyl-5,6-dihydro-4H-pyrrolo[3,2-d]isoxazole?
You can request a quote for 3-Phenyl-5,6-dihydro-4H-pyrrolo[3,2-d]isoxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Phenyl-5,6-dihydro-4H-pyrrolo[3,2-d]isoxazole?
Yes, KEHONG BIO provides custom synthesis services for 3-Phenyl-5,6-dihydro-4H-pyrrolo[3,2-d]isoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.