2-Chloro-2-(3-oxo-1-phenyl-butyl)-indan-1,3-dione
TL;DR: 2-Chloro-2-(3-oxo-1-phenyl-butyl)-indan-1,3-dione (CAS 42581-23-7) is a chemical compound with molecular formula C19H15ClO3 and molecular weight 326.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-2-(3-oxo-1-phenylbutyl)indene-1,3-dione
Also Known As: 2-chloro-2-(3-oxo-1-phenylbutyl)-1H-indene-1,3(2H)-dione, 2-Chloro-2-(3-oxo-1-phenyl-butyl)-indan-1,3-dione, BAS 00127064, 2-chloro-2-(3-oxo-1-phenylbutyl)indene-1,3-dione, 665-651-0
| Molecular Formula | C19H15ClO3 |
|---|---|
| Molecular Weight | 326.07 g/mol |
| LogP | 3.8061 |
| Topological Polar Surface Area | 51.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 326.07098 |
| Heavy Atoms | 23 |
| Complexity | 760.27185 |
Chemical Identifiers
| CAS Number | 42581-23-7 |
|---|---|
| SMILES | CC(=O)CC(C1=CC=CC=C1)C2(C(=O)C3=CC=CC=C3C2=O)Cl |
Product Overview
2-Chloro-2-(3-oxo-1-phenyl-butyl)-indan-1,3-dione (CAS 42581-23-7), with molecular formula C19H15ClO3 and molecular weight 326.07 g/mol. IUPAC: 2-chloro-2-(3-oxo-1-phenylbutyl)indene-1,3-dione.
Chemical Property Profile of 2-Chloro-2-(3-oxo-1-phenyl-butyl)-indan-1,3-dione
Property Insights of 2-Chloro-2-(3-oxo-1-phenyl-butyl)-indan-1,3-dione
The XLogP value of 3.8061 indicates that 2-Chloro-2-(3-oxo-1-phenyl-butyl)-indan-1,3-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.21 Ų, 2-Chloro-2-(3-oxo-1-phenyl-butyl)-indan-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-2-(3-oxo-1-phenyl-butyl)-indan-1,3-dione 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-Chloro-2-(3-oxo-1-phenyl-butyl)-indan-1,3-dione?
The CAS number of 2-Chloro-2-(3-oxo-1-phenyl-butyl)-indan-1,3-dione is 42581-23-7.
What is the molecular formula of 2-Chloro-2-(3-oxo-1-phenyl-butyl)-indan-1,3-dione?
The molecular formula of 2-Chloro-2-(3-oxo-1-phenyl-butyl)-indan-1,3-dione is C19H15ClO3.
What is the molecular weight of 2-Chloro-2-(3-oxo-1-phenyl-butyl)-indan-1,3-dione?
The molecular weight of 2-Chloro-2-(3-oxo-1-phenyl-butyl)-indan-1,3-dione is 326.07 g/mol.
Where can I buy 2-Chloro-2-(3-oxo-1-phenyl-butyl)-indan-1,3-dione?
You can request a quote for 2-Chloro-2-(3-oxo-1-phenyl-butyl)-indan-1,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-2-(3-oxo-1-phenyl-butyl)-indan-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-2-(3-oxo-1-phenyl-butyl)-indan-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.