1-(2-Methyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-one
TL;DR: 1-(2-Methyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-one (CAS 63998-46-9) is a chemical compound with molecular formula C12H14O2 and molecular weight 190.10 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)propan-1-one
Also Known As: 2-methyl-5-propionylcoumaran, 1-(2,3-Dihydro-2-methyl-5-benzofuranyl)-1-propanone, 1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-one, 1-Propanone, 1-(2,3-dihydro-2-methyl-5-benzofuranyl)-, RefChem:1054008
| Molecular Formula | C12H14O2 |
|---|---|
| Molecular Weight | 190.10 g/mol |
| LogP | 2.6027 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 190.09938 |
| Heavy Atoms | 14 |
| Complexity | 368.58453 |
Chemical Identifiers
| CAS Number | 63998-46-9 |
|---|---|
| SMILES | CCC(=O)C1=CC2=C(C=C1)OC(C2)C |
Product Overview
1-(2-Methyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-one (CAS 63998-46-9), with molecular formula C12H14O2 and molecular weight 190.10 g/mol. IUPAC: 1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-one.
Chemical Property Profile of 1-(2-Methyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-one
Property Insights of 1-(2-Methyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-one
The XLogP value of 2.6027 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Methyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-one. With a topological polar surface area (TPSA) of 26.3 Ų, 1-(2-Methyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Methyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-one 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 1-(2-Methyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-one?
The CAS number of 1-(2-Methyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-one is 63998-46-9.
What is the molecular formula of 1-(2-Methyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-one?
The molecular formula of 1-(2-Methyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-one is C12H14O2.
What is the molecular weight of 1-(2-Methyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-one?
The molecular weight of 1-(2-Methyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-one is 190.10 g/mol.
Where can I buy 1-(2-Methyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-one?
You can request a quote for 1-(2-Methyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Methyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Methyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.