5-Methyl-4-(2-phenyl-1,3-thiazol-4-yl)isoxazole
TL;DR: 5-Methyl-4-(2-phenyl-1,3-thiazol-4-yl)isoxazole (CAS 400084-45-9) is a chemical compound with molecular formula C13H10N2OS and molecular weight 242.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-4-(2-phenyl-1,3-thiazol-4-yl)-1,2-oxazole
Also Known As: 5-methyl-4-(2-phenyl-1,3-thiazol-4-yl)isoxazole, 5-methyl-4-(2-phenyl-1,3-thiazol-4-yl)-1,2-oxazole, 5-methyl-4-(2-phenylthiazol-4-yl)isoxazole
| Molecular Formula | C13H10N2OS |
|---|---|
| Molecular Weight | 242.05 g/mol |
| LogP | 3.77352 |
| Topological Polar Surface Area | 38.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 242.05139 |
| Heavy Atoms | 17 |
| Complexity | 627.6791 |
Chemical Identifiers
| CAS Number | 400084-45-9 |
|---|---|
| SMILES | CC1=C(C=NO1)C2=CSC(=N2)C3=CC=CC=C3 |
Product Overview
5-Methyl-4-(2-phenyl-1,3-thiazol-4-yl)isoxazole (CAS 400084-45-9), with molecular formula C13H10N2OS and molecular weight 242.05 g/mol. IUPAC: 5-methyl-4-(2-phenyl-1,3-thiazol-4-yl)-1,2-oxazole.
Chemical Property Profile of 5-Methyl-4-(2-phenyl-1,3-thiazol-4-yl)isoxazole
Property Insights of 5-Methyl-4-(2-phenyl-1,3-thiazol-4-yl)isoxazole
The XLogP value of 3.77352 indicates that 5-Methyl-4-(2-phenyl-1,3-thiazol-4-yl)isoxazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.92 Ų, 5-Methyl-4-(2-phenyl-1,3-thiazol-4-yl)isoxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methyl-4-(2-phenyl-1,3-thiazol-4-yl)isoxazole has 0 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 5-Methyl-4-(2-phenyl-1,3-thiazol-4-yl)isoxazole?
The CAS number of 5-Methyl-4-(2-phenyl-1,3-thiazol-4-yl)isoxazole is 400084-45-9.
What is the molecular formula of 5-Methyl-4-(2-phenyl-1,3-thiazol-4-yl)isoxazole?
The molecular formula of 5-Methyl-4-(2-phenyl-1,3-thiazol-4-yl)isoxazole is C13H10N2OS.
What is the molecular weight of 5-Methyl-4-(2-phenyl-1,3-thiazol-4-yl)isoxazole?
The molecular weight of 5-Methyl-4-(2-phenyl-1,3-thiazol-4-yl)isoxazole is 242.05 g/mol.
Where can I buy 5-Methyl-4-(2-phenyl-1,3-thiazol-4-yl)isoxazole?
You can request a quote for 5-Methyl-4-(2-phenyl-1,3-thiazol-4-yl)isoxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methyl-4-(2-phenyl-1,3-thiazol-4-yl)isoxazole?
Yes, KEHONG BIO provides custom synthesis services for 5-Methyl-4-(2-phenyl-1,3-thiazol-4-yl)isoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.