4-(2,6-Dimethylpyran-4-ylidene)-2-phenyl-1,3-oxazol-5-one
TL;DR: 4-(2,6-Dimethylpyran-4-ylidene)-2-phenyl-1,3-oxazol-5-one (CAS 13895-35-7) is a chemical compound with molecular formula C16H13NO3 and molecular weight 267.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,6-dimethylpyran-4-ylidene)-2-phenyl-1,3-oxazol-5-one
Also Known As: BAS 00486080, AE-848/33610041, 4-(2,6-dimethyl-4H-pyran-4-ylidene)-2-phenyl-1,3-oxazol-5(4H)-one, 4-(2,6-dimethylpyran-4-ylidene)-2-phenyl-1,3-oxazol-5-one, 4-(2,6-dimethyl-4-pyranylidene)-2-phenyl-5-oxazolone
| Molecular Formula | C16H13NO3 |
|---|---|
| Molecular Weight | 267.09 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 47.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 267.08954 |
| Heavy Atoms | 20 |
| Complexity | 540.0 |
Chemical Identifiers
| CAS Number | 13895-35-7 |
|---|---|
| SMILES | CC1=CC(=C2C(=O)OC(=N2)C3=CC=CC=C3)C=C(O1)C |
| InChIKey | DOCUFZCCVXXBFX-UHFFFAOYSA-N |
Product Overview
4-(2,6-Dimethylpyran-4-ylidene)-2-phenyl-1,3-oxazol-5-one (CAS 13895-35-7), with molecular formula C16H13NO3 and molecular weight 267.09 g/mol. IUPAC: 4-(2,6-dimethylpyran-4-ylidene)-2-phenyl-1,3-oxazol-5-one.
Chemical Property Profile of 4-(2,6-Dimethylpyran-4-ylidene)-2-phenyl-1,3-oxazol-5-one
Property Insights of 4-(2,6-Dimethylpyran-4-ylidene)-2-phenyl-1,3-oxazol-5-one
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2,6-Dimethylpyran-4-ylidene)-2-phenyl-1,3-oxazol-5-one. With a topological polar surface area (TPSA) of 47.9 Ų, 4-(2,6-Dimethylpyran-4-ylidene)-2-phenyl-1,3-oxazol-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2,6-Dimethylpyran-4-ylidene)-2-phenyl-1,3-oxazol-5-one 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 4-(2,6-Dimethylpyran-4-ylidene)-2-phenyl-1,3-oxazol-5-one?
The CAS number of 4-(2,6-Dimethylpyran-4-ylidene)-2-phenyl-1,3-oxazol-5-one is 13895-35-7.
What is the molecular formula of 4-(2,6-Dimethylpyran-4-ylidene)-2-phenyl-1,3-oxazol-5-one?
The molecular formula of 4-(2,6-Dimethylpyran-4-ylidene)-2-phenyl-1,3-oxazol-5-one is C16H13NO3.
What is the molecular weight of 4-(2,6-Dimethylpyran-4-ylidene)-2-phenyl-1,3-oxazol-5-one?
The molecular weight of 4-(2,6-Dimethylpyran-4-ylidene)-2-phenyl-1,3-oxazol-5-one is 267.09 g/mol.
Where can I buy 4-(2,6-Dimethylpyran-4-ylidene)-2-phenyl-1,3-oxazol-5-one?
You can request a quote for 4-(2,6-Dimethylpyran-4-ylidene)-2-phenyl-1,3-oxazol-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2,6-Dimethylpyran-4-ylidene)-2-phenyl-1,3-oxazol-5-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(2,6-Dimethylpyran-4-ylidene)-2-phenyl-1,3-oxazol-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.