Phenol oxazoline
TL;DR: Phenol oxazoline (CAS 81428-58-2) is a chemical compound with molecular formula C9H9NO2 and molecular weight 163.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4,5-dihydro-1,3-oxazol-2-yl)phenol
Also Known As: Phenol oxazoline, 4-(4,5-dihydro-2-oxazolyl)-phenol, 4-(4,5-dihydrooxazol-2-yl)phenol, 4,5-dihydro-2-(4-hydroxyphenyl)oxazole, Win 52452
| Molecular Formula | C9H9NO2 |
|---|---|
| Molecular Weight | 163.06 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 41.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 163.06332 |
| Heavy Atoms | 12 |
| Complexity | 183.0 |
Chemical Identifiers
| CAS Number | 81428-58-2 |
|---|---|
| SMILES | C1COC(=N1)C2=CC=C(C=C2)O |
| InChIKey | CISDUCORJHLMML-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenol oxazoline (CAS 81428-58-2), with molecular formula C9H9NO2 and molecular weight 163.06 g/mol. IUPAC: 4-(4,5-dihydro-1,3-oxazol-2-yl)phenol.
Chemical Property Profile of Phenol oxazoline
Property Insights of Phenol oxazoline
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenol oxazoline. With a topological polar surface area (TPSA) of 41.8 Ų, Phenol oxazoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenol oxazoline has 1 hydrogen bond donor(s) and 3 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 Phenol oxazoline?
The CAS number of Phenol oxazoline is 81428-58-2.
What is the molecular formula of Phenol oxazoline?
The molecular formula of Phenol oxazoline is C9H9NO2.
What is the molecular weight of Phenol oxazoline?
The molecular weight of Phenol oxazoline is 163.06 g/mol.
Where can I buy Phenol oxazoline?
You can request a quote for Phenol oxazoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenol oxazoline?
Yes, KEHONG BIO provides custom synthesis services for Phenol oxazoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.