1-(1,3-Benzodioxol-5-yl)-2-hydroxy-2-phenylethanone
TL;DR: 1-(1,3-Benzodioxol-5-yl)-2-hydroxy-2-phenylethanone (CAS 41335-35-7) is a chemical compound with molecular formula C15H12O4 and molecular weight 256.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-benzodioxol-5-yl)-2-hydroxy-2-phenylethanone
Also Known As: KST-1B4116, 1-(1,3-benzodioxol-5-yl)-2-hydroxy-2-phenylethanone, 1-benzo[1,3]dioxol-5-yl-2-hydroxy-2-phenyl-ethanone, Ethanone,2-(4-chlorophenyl)-1-(2-furanyl)-2-hydroxy, 1-(2H-1,3-Benzodioxol-5-yl)-2-hydroxy-2-phenylethan-1-one
| Molecular Formula | C15H12O4 |
|---|---|
| Molecular Weight | 256.07 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 256.07355 |
| Heavy Atoms | 19 |
| Complexity | 324.0 |
Chemical Identifiers
| CAS Number | 41335-35-7 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C(=O)C(C3=CC=CC=C3)O |
| InChIKey | RFQFFENZGKTBRE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(1,3-Benzodioxol-5-yl)-2-hydroxy-2-phenylethanone (CAS 41335-35-7), with molecular formula C15H12O4 and molecular weight 256.07 g/mol. IUPAC: 1-(1,3-benzodioxol-5-yl)-2-hydroxy-2-phenylethanone.
Chemical Property Profile of 1-(1,3-Benzodioxol-5-yl)-2-hydroxy-2-phenylethanone
Property Insights of 1-(1,3-Benzodioxol-5-yl)-2-hydroxy-2-phenylethanone
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1,3-Benzodioxol-5-yl)-2-hydroxy-2-phenylethanone. With a topological polar surface area (TPSA) of 55.8 Ų, 1-(1,3-Benzodioxol-5-yl)-2-hydroxy-2-phenylethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1,3-Benzodioxol-5-yl)-2-hydroxy-2-phenylethanone has 1 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 1-(1,3-Benzodioxol-5-yl)-2-hydroxy-2-phenylethanone?
The CAS number of 1-(1,3-Benzodioxol-5-yl)-2-hydroxy-2-phenylethanone is 41335-35-7.
What is the molecular formula of 1-(1,3-Benzodioxol-5-yl)-2-hydroxy-2-phenylethanone?
The molecular formula of 1-(1,3-Benzodioxol-5-yl)-2-hydroxy-2-phenylethanone is C15H12O4.
What is the molecular weight of 1-(1,3-Benzodioxol-5-yl)-2-hydroxy-2-phenylethanone?
The molecular weight of 1-(1,3-Benzodioxol-5-yl)-2-hydroxy-2-phenylethanone is 256.07 g/mol.
Where can I buy 1-(1,3-Benzodioxol-5-yl)-2-hydroxy-2-phenylethanone?
You can request a quote for 1-(1,3-Benzodioxol-5-yl)-2-hydroxy-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-(1,3-Benzodioxol-5-yl)-2-hydroxy-2-phenylethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,3-Benzodioxol-5-yl)-2-hydroxy-2-phenylethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.