butyl (2-oxo-1,3-benzoxazol-3(2H)-yl)acetate
TL;DR: butyl (2-oxo-1,3-benzoxazol-3(2H)-yl)acetate (CAS 638141-79-4) is a chemical compound with molecular formula C13H15NO4 and molecular weight 249.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
Also Known As: butyl (2-oxo-1,3-benzoxazol-3(2H)-yl)acetate, butyl 2-(2-oxo-1,3-benzoxazol-3-yl)acetate, butyl 2-(2-oxobenzo[d]oxazol-3(2H)-yl)acetate, butyl 2-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)acetate, butyl 2-(2-oxo-3-hydrobenzoxazol-3-yl)acetate
| Molecular Formula | C13H15NO4 |
|---|---|
| Molecular Weight | 249.10 g/mol |
| LogP | 1.9378 |
| Topological Polar Surface Area | 61.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 249.10011 |
| Heavy Atoms | 18 |
| Complexity | 596.3022 |
Chemical Identifiers
| CAS Number | 638141-79-4 |
|---|---|
| SMILES | CCCCOC(=O)CN1C2=CC=CC=C2OC1=O |
Product Overview
butyl (2-oxo-1,3-benzoxazol-3(2H)-yl)acetate (CAS 638141-79-4), with molecular formula C13H15NO4 and molecular weight 249.10 g/mol. IUPAC: butyl 2-(2-oxo-1,3-benzoxazol-3-yl)acetate.
Chemical Property Profile of butyl (2-oxo-1,3-benzoxazol-3(2H)-yl)acetate
Property Insights of butyl (2-oxo-1,3-benzoxazol-3(2H)-yl)acetate
The XLogP value of 1.9378 suggests moderate lipophilicity, balancing water solubility and membrane permeability for butyl (2-oxo-1,3-benzoxazol-3(2H)-yl)acetate. The TPSA of 61.44 Ų falls within the moderate polarity range, balancing permeability and solubility for butyl (2-oxo-1,3-benzoxazol-3(2H)-yl)acetate. Following Lipinski's Rule of Five, butyl (2-oxo-1,3-benzoxazol-3(2H)-yl)acetate 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 (2-oxo-1,3-benzoxazol-3(2H)-yl)acetate?
The CAS number of butyl (2-oxo-1,3-benzoxazol-3(2H)-yl)acetate is 638141-79-4.
What is the molecular formula of butyl (2-oxo-1,3-benzoxazol-3(2H)-yl)acetate?
The molecular formula of butyl (2-oxo-1,3-benzoxazol-3(2H)-yl)acetate is C13H15NO4.
What is the molecular weight of butyl (2-oxo-1,3-benzoxazol-3(2H)-yl)acetate?
The molecular weight of butyl (2-oxo-1,3-benzoxazol-3(2H)-yl)acetate is 249.10 g/mol.
Where can I buy butyl (2-oxo-1,3-benzoxazol-3(2H)-yl)acetate?
You can request a quote for butyl (2-oxo-1,3-benzoxazol-3(2H)-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for butyl (2-oxo-1,3-benzoxazol-3(2H)-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for butyl (2-oxo-1,3-benzoxazol-3(2H)-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.