Butyl 3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoate
TL;DR: Butyl 3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoate (CAS 444080-71-1) is a chemical compound with molecular formula C12H19NO3 and molecular weight 225.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoate
Also Known As: butyl 3-(3,5-dimethylisoxazol-4-yl)propanoate, butyl 3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoate
| Molecular Formula | C12H19NO3 |
|---|---|
| Molecular Weight | 225.14 g/mol |
| LogP | 2.56734 |
| Topological Polar Surface Area | 52.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 225.13649 |
| Heavy Atoms | 16 |
| Complexity | 324.5331 |
Chemical Identifiers
| CAS Number | 444080-71-1 |
|---|---|
| SMILES | CCCCOC(=O)CCC1=C(ON=C1C)C |
Product Overview
Butyl 3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoate (CAS 444080-71-1), with molecular formula C12H19NO3 and molecular weight 225.14 g/mol. IUPAC: butyl 3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoate.
Chemical Property Profile of Butyl 3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoate
Property Insights of Butyl 3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoate
The XLogP value of 2.56734 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyl 3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoate. With a topological polar surface area (TPSA) of 52.33 Ų, Butyl 3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl 3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoate 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 3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoate?
The CAS number of Butyl 3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoate is 444080-71-1.
What is the molecular formula of Butyl 3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoate?
The molecular formula of Butyl 3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoate is C12H19NO3.
What is the molecular weight of Butyl 3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoate?
The molecular weight of Butyl 3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoate is 225.14 g/mol.
Where can I buy Butyl 3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoate?
You can request a quote for Butyl 3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl 3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.