Butyl 5-methylisoxazole-3-carboxylate
TL;DR: Butyl 5-methylisoxazole-3-carboxylate (CAS 85168-94-1) is a chemical compound with molecular formula C9H13NO3 and molecular weight 183.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 5-methyl-1,2-oxazole-3-carboxylate
Also Known As: Butyl 5-methylisoxazole-3-carboxylate, EINECS 285-937-5, butyl 5-methyl-1,2-oxazole-3-carboxylate, BUTYL 5-METHYL-3-ISOXAZOLECARBOXYLATE, 3-Isoxazolecarboxylic acid, 5-methyl-, butyl ester
| Molecular Formula | C9H13NO3 |
|---|---|
| Molecular Weight | 183.09 g/mol |
| LogP | 1.93992 |
| Topological Polar Surface Area | 52.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 183.08954 |
| Heavy Atoms | 13 |
| Complexity | 280.14212 |
Chemical Identifiers
| CAS Number | 85168-94-1 |
|---|---|
| SMILES | CCCCOC(=O)C1=NOC(=C1)C |
Product Overview
Butyl 5-methylisoxazole-3-carboxylate (CAS 85168-94-1), with molecular formula C9H13NO3 and molecular weight 183.09 g/mol. IUPAC: butyl 5-methyl-1,2-oxazole-3-carboxylate.
Chemical Property Profile of Butyl 5-methylisoxazole-3-carboxylate
Property Insights of Butyl 5-methylisoxazole-3-carboxylate
The XLogP value of 1.93992 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyl 5-methylisoxazole-3-carboxylate. With a topological polar surface area (TPSA) of 52.33 Ų, Butyl 5-methylisoxazole-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl 5-methylisoxazole-3-carboxylate 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 Butyl 5-methylisoxazole-3-carboxylate?
The CAS number of Butyl 5-methylisoxazole-3-carboxylate is 85168-94-1.
What is the molecular formula of Butyl 5-methylisoxazole-3-carboxylate?
The molecular formula of Butyl 5-methylisoxazole-3-carboxylate is C9H13NO3.
What is the molecular weight of Butyl 5-methylisoxazole-3-carboxylate?
The molecular weight of Butyl 5-methylisoxazole-3-carboxylate is 183.09 g/mol.
Where can I buy Butyl 5-methylisoxazole-3-carboxylate?
You can request a quote for Butyl 5-methylisoxazole-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl 5-methylisoxazole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 5-methylisoxazole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.