2-Methyl-5-(3-phenylpropionyl)-1-benzoxolane
TL;DR: 2-Methyl-5-(3-phenylpropionyl)-1-benzoxolane (CAS 159264-96-7) is a chemical compound with molecular formula C18H18O2 and molecular weight 266.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-3-phenylpropan-1-one
Also Known As: 2-Methyl-5-(3-phenylpropionyl)-1-benzoxolane, 1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-3-phenylpropan-1-one, 1-(2,3-Dihydro-2-methyl-5-benzofuranyl)-3-phenyl-1-propanone, 1-(2-Methylcoumaran-5-yl)-3-phenyl-1-propanone, 1-Propanone, 1-(2,3-dihydro-2-methyl-5-benzofuranyl)-3-phenyl-
| Molecular Formula | C18H18O2 |
|---|---|
| Molecular Weight | 266.13 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 266.13068 |
| Heavy Atoms | 20 |
| Complexity | 332.0 |
Chemical Identifiers
| CAS Number | 159264-96-7 |
|---|---|
| SMILES | CC1CC2=C(O1)C=CC(=C2)C(=O)CCC3=CC=CC=C3 |
| InChIKey | BIDJZAWEWJHSNW-UHFFFAOYSA-N |
Product Overview
2-Methyl-5-(3-phenylpropionyl)-1-benzoxolane (CAS 159264-96-7), with molecular formula C18H18O2 and molecular weight 266.13 g/mol. IUPAC: 1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-3-phenylpropan-1-one.
Chemical Property Profile of 2-Methyl-5-(3-phenylpropionyl)-1-benzoxolane
Property Insights of 2-Methyl-5-(3-phenylpropionyl)-1-benzoxolane
The XLogP value of 3.9 indicates that 2-Methyl-5-(3-phenylpropionyl)-1-benzoxolane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Methyl-5-(3-phenylpropionyl)-1-benzoxolane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-5-(3-phenylpropionyl)-1-benzoxolane has 0 hydrogen bond donor(s) and 2 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-Methyl-5-(3-phenylpropionyl)-1-benzoxolane?
The CAS number of 2-Methyl-5-(3-phenylpropionyl)-1-benzoxolane is 159264-96-7.
What is the molecular formula of 2-Methyl-5-(3-phenylpropionyl)-1-benzoxolane?
The molecular formula of 2-Methyl-5-(3-phenylpropionyl)-1-benzoxolane is C18H18O2.
What is the molecular weight of 2-Methyl-5-(3-phenylpropionyl)-1-benzoxolane?
The molecular weight of 2-Methyl-5-(3-phenylpropionyl)-1-benzoxolane is 266.13 g/mol.
Where can I buy 2-Methyl-5-(3-phenylpropionyl)-1-benzoxolane?
You can request a quote for 2-Methyl-5-(3-phenylpropionyl)-1-benzoxolane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-5-(3-phenylpropionyl)-1-benzoxolane?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-5-(3-phenylpropionyl)-1-benzoxolane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.