1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-phenylethanone
TL;DR: 1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-phenylethanone (CAS 18212-83-4) is a chemical compound with molecular formula C16H14O3 and molecular weight 254.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylethanone
Also Known As: 3',4'-Ethylenedioxy-2-phenylacetophenone, BAS 01293733, 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylethanone, J3.058.183K, 1-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-2-phenyl-ethanone
| Molecular Formula | C16H14O3 |
|---|---|
| Molecular Weight | 254.09 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 254.0943 |
| Heavy Atoms | 19 |
| Complexity | 309.0 |
Chemical Identifiers
| CAS Number | 18212-83-4 |
|---|---|
| SMILES | C1COC2=C(O1)C=CC(=C2)C(=O)CC3=CC=CC=C3 |
| InChIKey | WEKCFNFPWZCSIS-UHFFFAOYSA-N |
Product Overview
1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-phenylethanone (CAS 18212-83-4), with molecular formula C16H14O3 and molecular weight 254.09 g/mol. IUPAC: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylethanone.
Chemical Property Profile of 1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-phenylethanone
Property Insights of 1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-phenylethanone
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-phenylethanone. With a topological polar surface area (TPSA) of 35.5 Ų, 1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-phenylethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-phenylethanone has 0 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 1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-phenylethanone?
The CAS number of 1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-phenylethanone is 18212-83-4.
What is the molecular formula of 1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-phenylethanone?
The molecular formula of 1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-phenylethanone is C16H14O3.
What is the molecular weight of 1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-phenylethanone?
The molecular weight of 1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-phenylethanone is 254.09 g/mol.
Where can I buy 1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-phenylethanone?
You can request a quote for 1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-phenylethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-phenylethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-phenylethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.