2-Oxazoleacetic acid, 5-phenyl-, methyl ester
TL;DR: 2-Oxazoleacetic acid, 5-phenyl-, methyl ester (CAS 74048-06-9) is a chemical compound with molecular formula C12H11NO3 and molecular weight 217.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(5-phenyl-1,3-oxazol-2-yl)acetate
Also Known As: Methyl (5-phenyl-1,3-oxazol-2-yl)acetate, (5-phenyl-oxazol-2-yl)-acetic acid methyl ester, 2-Oxazoleacetic acid, 5-phenyl-, methyl ester, Methyl (5-phenyl-1,3-oxazol-2-yl)acetate #, methyl 2-(5-phenyl-1,3-oxazol-2-yl)acetate
| Molecular Formula | C12H11NO3 |
|---|---|
| Molecular Weight | 217.07 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 217.0739 |
| Heavy Atoms | 16 |
| Complexity | 238.0 |
Chemical Identifiers
| CAS Number | 74048-06-9 |
|---|---|
| SMILES | COC(=O)CC1=NC=C(O1)C2=CC=CC=C2 |
| InChIKey | MHXGBJQLZHHLKQ-UHFFFAOYSA-N |
Product Overview
2-Oxazoleacetic acid, 5-phenyl-, methyl ester (CAS 74048-06-9), with molecular formula C12H11NO3 and molecular weight 217.07 g/mol. IUPAC: methyl 2-(5-phenyl-1,3-oxazol-2-yl)acetate.
Chemical Property Profile of 2-Oxazoleacetic acid, 5-phenyl-, methyl ester
Property Insights of 2-Oxazoleacetic acid, 5-phenyl-, methyl ester
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Oxazoleacetic acid, 5-phenyl-, methyl ester. With a topological polar surface area (TPSA) of 52.3 Ų, 2-Oxazoleacetic acid, 5-phenyl-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Oxazoleacetic acid, 5-phenyl-, 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-Oxazoleacetic acid, 5-phenyl-, methyl ester?
The CAS number of 2-Oxazoleacetic acid, 5-phenyl-, methyl ester is 74048-06-9.
What is the molecular formula of 2-Oxazoleacetic acid, 5-phenyl-, methyl ester?
The molecular formula of 2-Oxazoleacetic acid, 5-phenyl-, methyl ester is C12H11NO3.
What is the molecular weight of 2-Oxazoleacetic acid, 5-phenyl-, methyl ester?
The molecular weight of 2-Oxazoleacetic acid, 5-phenyl-, methyl ester is 217.07 g/mol.
Where can I buy 2-Oxazoleacetic acid, 5-phenyl-, methyl ester?
You can request a quote for 2-Oxazoleacetic acid, 5-phenyl-, 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-Oxazoleacetic acid, 5-phenyl-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Oxazoleacetic acid, 5-phenyl-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.