(5-Methyl-2-oxo-benzooxazol-3-yl)-acetic acid isopropyl ester
TL;DR: (5-Methyl-2-oxo-benzooxazol-3-yl)-acetic acid isopropyl ester (CAS 638141-90-9) 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.
propan-2-yl 2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)acetate
Also Known As: BAS 07566986, isopropyl (5-methyl-2-oxo-1,3-benzoxazol-3(2H)-yl)acetate, (5-Methyl-2-oxo-benzooxazol-3-yl)-acetic acid isopropyl ester, methylethyl 2-(5-methyl-2-oxo-3-hydrobenzoxazol-3-yl)acetate, propan-2-yl (5-methyl-2-oxo-1,3-benzoxazol-3(2H)-yl)acetate
| Molecular Formula | C13H15NO4 |
|---|---|
| Molecular Weight | 249.10 g/mol |
| LogP | 1.85452 |
| Topological Polar Surface Area | 61.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 249.10011 |
| Heavy Atoms | 18 |
| Complexity | 635.96893 |
Chemical Identifiers
| CAS Number | 638141-90-9 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)OC(=O)N2CC(=O)OC(C)C |
Product Overview
(5-Methyl-2-oxo-benzooxazol-3-yl)-acetic acid isopropyl ester (CAS 638141-90-9), with molecular formula C13H15NO4 and molecular weight 249.10 g/mol. IUPAC: propan-2-yl 2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)acetate.
Chemical Property Profile of (5-Methyl-2-oxo-benzooxazol-3-yl)-acetic acid isopropyl ester
Property Insights of (5-Methyl-2-oxo-benzooxazol-3-yl)-acetic acid isopropyl ester
The XLogP value of 1.85452 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5-Methyl-2-oxo-benzooxazol-3-yl)-acetic acid isopropyl ester. The TPSA of 61.44 Ų falls within the moderate polarity range, balancing permeability and solubility for (5-Methyl-2-oxo-benzooxazol-3-yl)-acetic acid isopropyl ester. Following Lipinski's Rule of Five, (5-Methyl-2-oxo-benzooxazol-3-yl)-acetic acid isopropyl ester 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 (5-Methyl-2-oxo-benzooxazol-3-yl)-acetic acid isopropyl ester?
The CAS number of (5-Methyl-2-oxo-benzooxazol-3-yl)-acetic acid isopropyl ester is 638141-90-9.
What is the molecular formula of (5-Methyl-2-oxo-benzooxazol-3-yl)-acetic acid isopropyl ester?
The molecular formula of (5-Methyl-2-oxo-benzooxazol-3-yl)-acetic acid isopropyl ester is C13H15NO4.
What is the molecular weight of (5-Methyl-2-oxo-benzooxazol-3-yl)-acetic acid isopropyl ester?
The molecular weight of (5-Methyl-2-oxo-benzooxazol-3-yl)-acetic acid isopropyl ester is 249.10 g/mol.
Where can I buy (5-Methyl-2-oxo-benzooxazol-3-yl)-acetic acid isopropyl ester?
You can request a quote for (5-Methyl-2-oxo-benzooxazol-3-yl)-acetic acid isopropyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5-Methyl-2-oxo-benzooxazol-3-yl)-acetic acid isopropyl ester?
Yes, KEHONG BIO provides custom synthesis services for (5-Methyl-2-oxo-benzooxazol-3-yl)-acetic acid isopropyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.