2-(1,3-Benzodioxol-5-YL)-1-phenyl-1-ethanone
TL;DR: 2-(1,3-Benzodioxol-5-YL)-1-phenyl-1-ethanone (CAS 40804-81-7) is a chemical compound with molecular formula C15H12O3 and molecular weight 240.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzodioxol-5-yl)-1-phenylethanone
Also Known As: 2-piperonylacetophenone, Maybridge3_004277, 3,4-methylenedioxy phenyl acetophenone, 2-(1,3-BENZODIOXOL-5-YL)-1-PHENYL-1-ETHANONE, IDI1_015664
| Molecular Formula | C15H12O3 |
|---|---|
| Molecular Weight | 240.08 g/mol |
| LogP | 2.8407 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 240.07864 |
| Heavy Atoms | 18 |
| Complexity | 575.5475 |
Chemical Identifiers
| CAS Number | 40804-81-7 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CC(=O)C3=CC=CC=C3 |
Product Overview
2-(1,3-Benzodioxol-5-YL)-1-phenyl-1-ethanone (CAS 40804-81-7), with molecular formula C15H12O3 and molecular weight 240.08 g/mol. IUPAC: 2-(1,3-benzodioxol-5-yl)-1-phenylethanone.
Chemical Property Profile of 2-(1,3-Benzodioxol-5-YL)-1-phenyl-1-ethanone
Property Insights of 2-(1,3-Benzodioxol-5-YL)-1-phenyl-1-ethanone
The XLogP value of 2.8407 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1,3-Benzodioxol-5-YL)-1-phenyl-1-ethanone. With a topological polar surface area (TPSA) of 35.53 Ų, 2-(1,3-Benzodioxol-5-YL)-1-phenyl-1-ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1,3-Benzodioxol-5-YL)-1-phenyl-1-ethanone 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 2-(1,3-Benzodioxol-5-YL)-1-phenyl-1-ethanone?
The CAS number of 2-(1,3-Benzodioxol-5-YL)-1-phenyl-1-ethanone is 40804-81-7.
What is the molecular formula of 2-(1,3-Benzodioxol-5-YL)-1-phenyl-1-ethanone?
The molecular formula of 2-(1,3-Benzodioxol-5-YL)-1-phenyl-1-ethanone is C15H12O3.
What is the molecular weight of 2-(1,3-Benzodioxol-5-YL)-1-phenyl-1-ethanone?
The molecular weight of 2-(1,3-Benzodioxol-5-YL)-1-phenyl-1-ethanone is 240.08 g/mol.
Where can I buy 2-(1,3-Benzodioxol-5-YL)-1-phenyl-1-ethanone?
You can request a quote for 2-(1,3-Benzodioxol-5-YL)-1-phenyl-1-ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-Benzodioxol-5-YL)-1-phenyl-1-ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-Benzodioxol-5-YL)-1-phenyl-1-ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.