pentyl (5-methyl-2-oxo-1,3-benzoxazol-3(2H)-yl)acetate
TL;DR: pentyl (5-methyl-2-oxo-1,3-benzoxazol-3(2H)-yl)acetate (CAS 638141-99-8) is a chemical compound with molecular formula C15H19NO4 and molecular weight 277.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pentyl 2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)acetate
Also Known As: pentyl (5-methyl-2-oxo-1,3-benzoxazol-3(2H)-yl)acetate, pentyl 2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)acetate, VU0276760-2, AP-845/42282923, pentyl 2-(5-methyl-2-oxobenzo[d]oxazol-3(2H)-yl)acetate
| Molecular Formula | C15H19NO4 |
|---|---|
| Molecular Weight | 277.13 g/mol |
| LogP | 2.63632 |
| Topological Polar Surface Area | 61.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 277.1314 |
| Heavy Atoms | 20 |
| Complexity | 653.42755 |
Chemical Identifiers
| CAS Number | 638141-99-8 |
|---|---|
| SMILES | CCCCCOC(=O)CN1C2=C(C=CC(=C2)C)OC1=O |
Product Overview
pentyl (5-methyl-2-oxo-1,3-benzoxazol-3(2H)-yl)acetate (CAS 638141-99-8), with molecular formula C15H19NO4 and molecular weight 277.13 g/mol. IUPAC: pentyl 2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)acetate.
Chemical Property Profile of pentyl (5-methyl-2-oxo-1,3-benzoxazol-3(2H)-yl)acetate
Property Insights of pentyl (5-methyl-2-oxo-1,3-benzoxazol-3(2H)-yl)acetate
The XLogP value of 2.63632 suggests moderate lipophilicity, balancing water solubility and membrane permeability for pentyl (5-methyl-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 pentyl (5-methyl-2-oxo-1,3-benzoxazol-3(2H)-yl)acetate. Following Lipinski's Rule of Five, pentyl (5-methyl-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 pentyl (5-methyl-2-oxo-1,3-benzoxazol-3(2H)-yl)acetate?
The CAS number of pentyl (5-methyl-2-oxo-1,3-benzoxazol-3(2H)-yl)acetate is 638141-99-8.
What is the molecular formula of pentyl (5-methyl-2-oxo-1,3-benzoxazol-3(2H)-yl)acetate?
The molecular formula of pentyl (5-methyl-2-oxo-1,3-benzoxazol-3(2H)-yl)acetate is C15H19NO4.
What is the molecular weight of pentyl (5-methyl-2-oxo-1,3-benzoxazol-3(2H)-yl)acetate?
The molecular weight of pentyl (5-methyl-2-oxo-1,3-benzoxazol-3(2H)-yl)acetate is 277.13 g/mol.
Where can I buy pentyl (5-methyl-2-oxo-1,3-benzoxazol-3(2H)-yl)acetate?
You can request a quote for pentyl (5-methyl-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 pentyl (5-methyl-2-oxo-1,3-benzoxazol-3(2H)-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for pentyl (5-methyl-2-oxo-1,3-benzoxazol-3(2H)-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.