(2-Oxobenzooxazol-3-yl)-acetic acid methyl ester
TL;DR: (2-Oxobenzooxazol-3-yl)-acetic acid methyl ester (CAS 13610-50-9) is a chemical compound with molecular formula C10H9NO4 and molecular weight 207.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
Also Known As: IFLab1_006296, IFLab2_000075, (2-Oxobenzooxazol-3-yl)-acetic acid methyl ester, methyl 2-(2-oxo-1,3-benzoxazol-3-yl)acetate, BAS 07247356
| Molecular Formula | C10H9NO4 |
|---|---|
| Molecular Weight | 207.05 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 207.05316 |
| Heavy Atoms | 15 |
| Complexity | 279.0 |
Chemical Identifiers
| CAS Number | 13610-50-9 |
|---|---|
| SMILES | COC(=O)CN1C2=CC=CC=C2OC1=O |
| InChIKey | LJBQUEFIEOBTIK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(2-Oxobenzooxazol-3-yl)-acetic acid methyl ester (CAS 13610-50-9), with molecular formula C10H9NO4 and molecular weight 207.05 g/mol. IUPAC: methyl 2-(2-oxo-1,3-benzoxazol-3-yl)acetate.
Chemical Property Profile of (2-Oxobenzooxazol-3-yl)-acetic acid methyl ester
Property Insights of (2-Oxobenzooxazol-3-yl)-acetic acid methyl ester
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-Oxobenzooxazol-3-yl)-acetic acid methyl ester. With a topological polar surface area (TPSA) of 55.8 Ų, (2-Oxobenzooxazol-3-yl)-acetic acid methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2-Oxobenzooxazol-3-yl)-acetic acid methyl 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 (2-Oxobenzooxazol-3-yl)-acetic acid methyl ester?
The CAS number of (2-Oxobenzooxazol-3-yl)-acetic acid methyl ester is 13610-50-9.
What is the molecular formula of (2-Oxobenzooxazol-3-yl)-acetic acid methyl ester?
The molecular formula of (2-Oxobenzooxazol-3-yl)-acetic acid methyl ester is C10H9NO4.
What is the molecular weight of (2-Oxobenzooxazol-3-yl)-acetic acid methyl ester?
The molecular weight of (2-Oxobenzooxazol-3-yl)-acetic acid methyl ester is 207.05 g/mol.
Where can I buy (2-Oxobenzooxazol-3-yl)-acetic acid methyl ester?
You can request a quote for (2-Oxobenzooxazol-3-yl)-acetic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-Oxobenzooxazol-3-yl)-acetic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for (2-Oxobenzooxazol-3-yl)-acetic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.