(5-Methyl-2-oxo-benzooxazol-3-yl)-acetic acid ethyl ester
TL;DR: (5-Methyl-2-oxo-benzooxazol-3-yl)-acetic acid ethyl ester (CAS 187977-75-9) is a chemical compound with molecular formula C12H13NO4 and molecular weight 235.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)acetate
Also Known As: ChemDiv3_006566, IDI1_024476, BAS 07403642, ethyl 2-(5-methyl-2-benzoxazolinon-3-yl)acetate, ethyl 2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)acetate
| Molecular Formula | C12H13NO4 |
|---|---|
| Molecular Weight | 235.08 g/mol |
| LogP | 1.46602 |
| Topological Polar Surface Area | 61.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 235.08446 |
| Heavy Atoms | 17 |
| Complexity | 608.4834 |
Chemical Identifiers
| CAS Number | 187977-75-9 |
|---|---|
| SMILES | CCOC(=O)CN1C2=C(C=CC(=C2)C)OC1=O |
Product Overview
(5-Methyl-2-oxo-benzooxazol-3-yl)-acetic acid ethyl ester (CAS 187977-75-9), with molecular formula C12H13NO4 and molecular weight 235.08 g/mol. IUPAC: ethyl 2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)acetate.
Chemical Property Profile of (5-Methyl-2-oxo-benzooxazol-3-yl)-acetic acid ethyl ester
Property Insights of (5-Methyl-2-oxo-benzooxazol-3-yl)-acetic acid ethyl ester
The XLogP value of 1.46602 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5-Methyl-2-oxo-benzooxazol-3-yl)-acetic acid ethyl 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 ethyl ester. Following Lipinski's Rule of Five, (5-Methyl-2-oxo-benzooxazol-3-yl)-acetic acid ethyl 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 ethyl ester?
The CAS number of (5-Methyl-2-oxo-benzooxazol-3-yl)-acetic acid ethyl ester is 187977-75-9.
What is the molecular formula of (5-Methyl-2-oxo-benzooxazol-3-yl)-acetic acid ethyl ester?
The molecular formula of (5-Methyl-2-oxo-benzooxazol-3-yl)-acetic acid ethyl ester is C12H13NO4.
What is the molecular weight of (5-Methyl-2-oxo-benzooxazol-3-yl)-acetic acid ethyl ester?
The molecular weight of (5-Methyl-2-oxo-benzooxazol-3-yl)-acetic acid ethyl ester is 235.08 g/mol.
Where can I buy (5-Methyl-2-oxo-benzooxazol-3-yl)-acetic acid ethyl ester?
You can request a quote for (5-Methyl-2-oxo-benzooxazol-3-yl)-acetic acid ethyl 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 ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for (5-Methyl-2-oxo-benzooxazol-3-yl)-acetic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.