5-(5-Isoxazolyl)-4-methoxycarbonyl-3-methylisoxazole
TL;DR: 5-(5-Isoxazolyl)-4-methoxycarbonyl-3-methylisoxazole (CAS 175277-13-1) is a chemical compound with molecular formula C9H8N2O4 and molecular weight 208.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-methyl-5-(1,2-oxazol-5-yl)-1,2-oxazole-4-carboxylate
Also Known As: Maybridge1_008847, 5-(5-Isoxazolyl)-4-methoxycarbonyl-3-methylisoxazole, Methyl 3-methyl-[5,5'-biisoxazole]-4-carboxylate, methyl 3-methyl-5-(1,2-oxazol-5-yl)-1,2-oxazole-4-carboxylate, BRD-K87097187-001-01-0
| Molecular Formula | C9H8N2O4 |
|---|---|
| Molecular Weight | 208.05 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 78.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 208.0484 |
| Heavy Atoms | 15 |
| Complexity | 248.0 |
Chemical Identifiers
| CAS Number | 175277-13-1 |
|---|---|
| SMILES | CC1=NOC(=C1C(=O)OC)C2=CC=NO2 |
| InChIKey | DHPRMYPNMBXVMX-UHFFFAOYSA-N |
Product Overview
5-(5-Isoxazolyl)-4-methoxycarbonyl-3-methylisoxazole (CAS 175277-13-1), with molecular formula C9H8N2O4 and molecular weight 208.05 g/mol. IUPAC: methyl 3-methyl-5-(1,2-oxazol-5-yl)-1,2-oxazole-4-carboxylate.
Chemical Property Profile of 5-(5-Isoxazolyl)-4-methoxycarbonyl-3-methylisoxazole
Property Insights of 5-(5-Isoxazolyl)-4-methoxycarbonyl-3-methylisoxazole
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(5-Isoxazolyl)-4-methoxycarbonyl-3-methylisoxazole. The TPSA of 78.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(5-Isoxazolyl)-4-methoxycarbonyl-3-methylisoxazole. Following Lipinski's Rule of Five, 5-(5-Isoxazolyl)-4-methoxycarbonyl-3-methylisoxazole has 0 hydrogen bond donor(s) and 6 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-(5-Isoxazolyl)-4-methoxycarbonyl-3-methylisoxazole?
The CAS number of 5-(5-Isoxazolyl)-4-methoxycarbonyl-3-methylisoxazole is 175277-13-1.
What is the molecular formula of 5-(5-Isoxazolyl)-4-methoxycarbonyl-3-methylisoxazole?
The molecular formula of 5-(5-Isoxazolyl)-4-methoxycarbonyl-3-methylisoxazole is C9H8N2O4.
What is the molecular weight of 5-(5-Isoxazolyl)-4-methoxycarbonyl-3-methylisoxazole?
The molecular weight of 5-(5-Isoxazolyl)-4-methoxycarbonyl-3-methylisoxazole is 208.05 g/mol.
Where can I buy 5-(5-Isoxazolyl)-4-methoxycarbonyl-3-methylisoxazole?
You can request a quote for 5-(5-Isoxazolyl)-4-methoxycarbonyl-3-methylisoxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(5-Isoxazolyl)-4-methoxycarbonyl-3-methylisoxazole?
Yes, KEHONG BIO provides custom synthesis services for 5-(5-Isoxazolyl)-4-methoxycarbonyl-3-methylisoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.