1-(1,3-Benzodioxol-5-yl)-2-(4-chlorophenyl)-2-hydroxyethanone
TL;DR: 1-(1,3-Benzodioxol-5-yl)-2-(4-chlorophenyl)-2-hydroxyethanone (CAS 10135-23-6) is a chemical compound with molecular formula C15H11ClO4 and molecular weight 290.03 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-(4-chlorophenyl)-2-hydroxyethanone
Also Known As: KST-1A9541, 4'-chloro-3,4-(methylenedioxy)benzoin, 1-(1,3-benzodioxol-5-yl)-2-(4-chlorophenyl)-2-hydroxyethanone, 1-(2H-1,3-Benzodioxol-5-yl)-2-(4-chlorophenyl)-2-hydroxyethan-1-one
| Molecular Formula | C15H11ClO4 |
|---|---|
| Molecular Weight | 290.03 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 290.03458 |
| Heavy Atoms | 20 |
| Complexity | 354.0 |
Chemical Identifiers
| CAS Number | 10135-23-6 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C(=O)C(C3=CC=C(C=C3)Cl)O |
| InChIKey | XSEBCUREVVLYCM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(1,3-Benzodioxol-5-yl)-2-(4-chlorophenyl)-2-hydroxyethanone (CAS 10135-23-6), with molecular formula C15H11ClO4 and molecular weight 290.03 g/mol. IUPAC: 1-(1,3-benzodioxol-5-yl)-2-(4-chlorophenyl)-2-hydroxyethanone.
Chemical Property Profile of 1-(1,3-Benzodioxol-5-yl)-2-(4-chlorophenyl)-2-hydroxyethanone
Property Insights of 1-(1,3-Benzodioxol-5-yl)-2-(4-chlorophenyl)-2-hydroxyethanone
The XLogP value of 3.1 indicates that 1-(1,3-Benzodioxol-5-yl)-2-(4-chlorophenyl)-2-hydroxyethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.8 Ų, 1-(1,3-Benzodioxol-5-yl)-2-(4-chlorophenyl)-2-hydroxyethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1,3-Benzodioxol-5-yl)-2-(4-chlorophenyl)-2-hydroxyethanone 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-(4-chlorophenyl)-2-hydroxyethanone?
The CAS number of 1-(1,3-Benzodioxol-5-yl)-2-(4-chlorophenyl)-2-hydroxyethanone is 10135-23-6.
What is the molecular formula of 1-(1,3-Benzodioxol-5-yl)-2-(4-chlorophenyl)-2-hydroxyethanone?
The molecular formula of 1-(1,3-Benzodioxol-5-yl)-2-(4-chlorophenyl)-2-hydroxyethanone is C15H11ClO4.
What is the molecular weight of 1-(1,3-Benzodioxol-5-yl)-2-(4-chlorophenyl)-2-hydroxyethanone?
The molecular weight of 1-(1,3-Benzodioxol-5-yl)-2-(4-chlorophenyl)-2-hydroxyethanone is 290.03 g/mol.
Where can I buy 1-(1,3-Benzodioxol-5-yl)-2-(4-chlorophenyl)-2-hydroxyethanone?
You can request a quote for 1-(1,3-Benzodioxol-5-yl)-2-(4-chlorophenyl)-2-hydroxyethanone 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-(4-chlorophenyl)-2-hydroxyethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,3-Benzodioxol-5-yl)-2-(4-chlorophenyl)-2-hydroxyethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.