![3-(2-(Methylthio)phenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]isoxazole structure](/static/products/6030/603067-73-8.webp)
3-(2-(Methylthio)phenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]isoxazole
TL;DR: 3-(2-(Methylthio)phenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]isoxazole (CAS 603067-73-8) is a chemical compound with molecular formula C12H12N2OS and molecular weight 232.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-methylsulfanylphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d][1,2]oxazole
Also Known As: 3-(2-(Methylthio)phenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]isoxazole, 2-(2-methylsulfanylphenyl)-4-oxa-3,6-diazabicyclo[3.3.0]octa-1,5-diene, 3-(2-methylsulfanylphenyl)-4,5-dihydro-2H-pyrrolo[3,2-d][1,2]oxazole, 4H-Pyrrolo[3,2-d]isoxazole, 5,6-dihydro-3-[2-(methylthio)phenyl]- (9CI), 4H-PYRROLO[3,2-D]ISOXAZOLE, 5,6-DIHYDRO-3-[2-(METHYLTHIO)PHENYL]-
| Molecular Formula | C12H12N2OS |
|---|---|
| Molecular Weight | 232.07 g/mol |
| LogP | 3.0315 |
| Topological Polar Surface Area | 38.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 232.06703 |
| Heavy Atoms | 16 |
| Complexity | 521.48737 |
Chemical Identifiers
| CAS Number | 603067-73-8 |
|---|---|
| SMILES | CSC1=CC=CC=C1C2=NOC3=C2CCN3 |
Product Overview
3-(2-(Methylthio)phenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]isoxazole (CAS 603067-73-8), with molecular formula C12H12N2OS and molecular weight 232.07 g/mol. IUPAC: 3-(2-methylsulfanylphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d][1,2]oxazole.
Chemical Property Profile of 3-(2-(Methylthio)phenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]isoxazole
Property Insights of 3-(2-(Methylthio)phenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]isoxazole
The XLogP value of 3.0315 indicates that 3-(2-(Methylthio)phenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]isoxazole 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-(Methylthio)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-(2-(Methylthio)phenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]isoxazole has 1 hydrogen bond donor(s) and 4 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-(Methylthio)phenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]isoxazole?
The CAS number of 3-(2-(Methylthio)phenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]isoxazole is 603067-73-8.
What is the molecular formula of 3-(2-(Methylthio)phenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]isoxazole?
The molecular formula of 3-(2-(Methylthio)phenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]isoxazole is C12H12N2OS.
What is the molecular weight of 3-(2-(Methylthio)phenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]isoxazole?
The molecular weight of 3-(2-(Methylthio)phenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]isoxazole is 232.07 g/mol.
Where can I buy 3-(2-(Methylthio)phenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]isoxazole?
You can request a quote for 3-(2-(Methylthio)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-(2-(Methylthio)phenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]isoxazole?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-(Methylthio)phenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]isoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.