Isopropyl 2-phenyl-2-oxazoline-4-carboxylate
TL;DR: Isopropyl 2-phenyl-2-oxazoline-4-carboxylate (CAS 37592-54-4) is a chemical compound with molecular formula C13H15NO3 and molecular weight 233.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylate
Also Known As: Isopropyl 2-phenyl-2-oxazoline-4-carboxylate, Isopropyl 2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylate, propan-2-yl 2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylate, 4-Oxazolecarboxylic acid, 4,5-dihydro-2-phenyl-, 1-methylethyl ester, Isopropyl 2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylate #
| Molecular Formula | C13H15NO3 |
|---|---|
| Molecular Weight | 233.11 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 47.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 233.1052 |
| Heavy Atoms | 17 |
| Complexity | 306.0 |
Chemical Identifiers
| CAS Number | 37592-54-4 |
|---|---|
| SMILES | CC(C)OC(=O)C1COC(=N1)C2=CC=CC=C2 |
| InChIKey | XVNKFEBBDQUUAD-UHFFFAOYSA-N |
Product Overview
Isopropyl 2-phenyl-2-oxazoline-4-carboxylate (CAS 37592-54-4), with molecular formula C13H15NO3 and molecular weight 233.11 g/mol. IUPAC: propan-2-yl 2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylate.
Chemical Property Profile of Isopropyl 2-phenyl-2-oxazoline-4-carboxylate
Property Insights of Isopropyl 2-phenyl-2-oxazoline-4-carboxylate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isopropyl 2-phenyl-2-oxazoline-4-carboxylate. With a topological polar surface area (TPSA) of 47.9 Ų, Isopropyl 2-phenyl-2-oxazoline-4-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopropyl 2-phenyl-2-oxazoline-4-carboxylate 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 Isopropyl 2-phenyl-2-oxazoline-4-carboxylate?
The CAS number of Isopropyl 2-phenyl-2-oxazoline-4-carboxylate is 37592-54-4.
What is the molecular formula of Isopropyl 2-phenyl-2-oxazoline-4-carboxylate?
The molecular formula of Isopropyl 2-phenyl-2-oxazoline-4-carboxylate is C13H15NO3.
What is the molecular weight of Isopropyl 2-phenyl-2-oxazoline-4-carboxylate?
The molecular weight of Isopropyl 2-phenyl-2-oxazoline-4-carboxylate is 233.11 g/mol.
Where can I buy Isopropyl 2-phenyl-2-oxazoline-4-carboxylate?
You can request a quote for Isopropyl 2-phenyl-2-oxazoline-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopropyl 2-phenyl-2-oxazoline-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Isopropyl 2-phenyl-2-oxazoline-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.