3,4-Dimethyl-5-(2-thienyl)isoxazole
TL;DR: 3,4-Dimethyl-5-(2-thienyl)isoxazole (CAS 56421-65-9) is a chemical compound with molecular formula C9H9NOS and molecular weight 179.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dimethyl-5-thiophen-2-yl-1,2-oxazole
Also Known As: 3,4-Dimethyl-5-(2-thienyl)isoxazole, 3,4-Dimethyl-5- isoxazole, Isoxazole, 3,4-dimethyl-5-(2-thienyl)-, 3,4-dimethyl-5-thiophen-2-yl-1,2-oxazole, 3,4-Dimethyl-5-(thiophen-2-yl)isoxazole
| Molecular Formula | C9H9NOS |
|---|---|
| Molecular Weight | 179.04 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 54.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 179.04048 |
| Heavy Atoms | 12 |
| Complexity | 165.0 |
Chemical Identifiers
| CAS Number | 56421-65-9 |
|---|---|
| SMILES | CC1=C(ON=C1C)C2=CC=CS2 |
| InChIKey | LGUFOHIGWDGSRM-UHFFFAOYSA-N |
Product Overview
3,4-Dimethyl-5-(2-thienyl)isoxazole (CAS 56421-65-9), with molecular formula C9H9NOS and molecular weight 179.04 g/mol. IUPAC: 3,4-dimethyl-5-thiophen-2-yl-1,2-oxazole.
Chemical Property Profile of 3,4-Dimethyl-5-(2-thienyl)isoxazole
Property Insights of 3,4-Dimethyl-5-(2-thienyl)isoxazole
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Dimethyl-5-(2-thienyl)isoxazole. With a topological polar surface area (TPSA) of 54.3 Ų, 3,4-Dimethyl-5-(2-thienyl)isoxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Dimethyl-5-(2-thienyl)isoxazole has 0 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 3,4-Dimethyl-5-(2-thienyl)isoxazole?
The CAS number of 3,4-Dimethyl-5-(2-thienyl)isoxazole is 56421-65-9.
What is the molecular formula of 3,4-Dimethyl-5-(2-thienyl)isoxazole?
The molecular formula of 3,4-Dimethyl-5-(2-thienyl)isoxazole is C9H9NOS.
What is the molecular weight of 3,4-Dimethyl-5-(2-thienyl)isoxazole?
The molecular weight of 3,4-Dimethyl-5-(2-thienyl)isoxazole is 179.04 g/mol.
Where can I buy 3,4-Dimethyl-5-(2-thienyl)isoxazole?
You can request a quote for 3,4-Dimethyl-5-(2-thienyl)isoxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Dimethyl-5-(2-thienyl)isoxazole?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dimethyl-5-(2-thienyl)isoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.