Isoxazole, 3-methyl-5-(1H-pyrrol-2-yl)-
TL;DR: Isoxazole, 3-methyl-5-(1H-pyrrol-2-yl)- (CAS 94405-06-8) is a chemical compound with molecular formula C8H8N2O and molecular weight 148.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-5-(1H-pyrrol-2-yl)-1,2-oxazole
Also Known As: 3-Methyl-5-(1H-pyrrol-2-yl)isoxazole, Isoxazole, 3-methyl-5-(1H-pyrrol-2-yl)-, NCI60_033676, 3-methyl-5-pyrrol-2-ylidene-2H-1,2-oxazole, 3-methyl-5-(1H-pyrrol-2-yl)-1,2-oxazole
| Molecular Formula | C8H8N2O |
|---|---|
| Molecular Weight | 148.06 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 41.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 148.06366 |
| Heavy Atoms | 11 |
| Complexity | 140.0 |
Chemical Identifiers
| CAS Number | 94405-06-8 |
|---|---|
| SMILES | CC1=NOC(=C1)C2=CC=CN2 |
| InChIKey | RDYWXDGLHVIVTL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isoxazole, 3-methyl-5-(1H-pyrrol-2-yl)- (CAS 94405-06-8), with molecular formula C8H8N2O and molecular weight 148.06 g/mol. IUPAC: 3-methyl-5-(1H-pyrrol-2-yl)-1,2-oxazole.
Chemical Property Profile of Isoxazole, 3-methyl-5-(1H-pyrrol-2-yl)-
Property Insights of Isoxazole, 3-methyl-5-(1H-pyrrol-2-yl)-
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoxazole, 3-methyl-5-(1H-pyrrol-2-yl)-. With a topological polar surface area (TPSA) of 41.8 Ų, Isoxazole, 3-methyl-5-(1H-pyrrol-2-yl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoxazole, 3-methyl-5-(1H-pyrrol-2-yl)- has 1 hydrogen bond donor(s) and 2 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 Isoxazole, 3-methyl-5-(1H-pyrrol-2-yl)-?
The CAS number of Isoxazole, 3-methyl-5-(1H-pyrrol-2-yl)- is 94405-06-8.
What is the molecular formula of Isoxazole, 3-methyl-5-(1H-pyrrol-2-yl)-?
The molecular formula of Isoxazole, 3-methyl-5-(1H-pyrrol-2-yl)- is C8H8N2O.
What is the molecular weight of Isoxazole, 3-methyl-5-(1H-pyrrol-2-yl)-?
The molecular weight of Isoxazole, 3-methyl-5-(1H-pyrrol-2-yl)- is 148.06 g/mol.
Where can I buy Isoxazole, 3-methyl-5-(1H-pyrrol-2-yl)-?
You can request a quote for Isoxazole, 3-methyl-5-(1H-pyrrol-2-yl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoxazole, 3-methyl-5-(1H-pyrrol-2-yl)-?
Yes, KEHONG BIO provides custom synthesis services for Isoxazole, 3-methyl-5-(1H-pyrrol-2-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.