氯茚二酮
TL;DR: 氯茚二酮 (CAS 1146-99-2) is a chemical compound with molecular formula C15H9ClO2 and molecular weight 256.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氯茚二酮
2-(4-chlorophenyl)indene-1,3-dione
Also Known As: Clorindione, Chlorindione, Chlophenadione, Clorindiona, Indaliton
| Molecular Formula | C15H9ClO2 |
|---|---|
| Molecular Weight | 256.03 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 256.0291 |
| Heavy Atoms | 18 |
| Complexity | 334.0 |
Chemical Identifiers
| CAS Number | 1146-99-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C(C2=O)C3=CC=C(C=C3)Cl |
| InChIKey | NJDUWAXIURWWLN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
氯茚二酮 (CAS 1146-99-2), with molecular formula C15H9ClO2 and molecular weight 256.03 g/mol. IUPAC: 2-(4-chlorophenyl)indene-1,3-dione.
Chemical Property Profile of 氯茚二酮
Property Insights of 氯茚二酮
The XLogP value of 3.5 indicates that 氯茚二酮 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.1 Ų, 氯茚二酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 氯茚二酮 has 0 hydrogen bond donor(s) and 2 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 氯茚二酮?
The CAS number of 氯茚二酮 is 1146-99-2.
What is the molecular formula of 氯茚二酮?
The molecular formula of 氯茚二酮 is C15H9ClO2.
What is the molecular weight of 氯茚二酮?
The molecular weight of 氯茚二酮 is 256.03 g/mol.
Where can I buy 氯茚二酮?
You can request a quote for 氯茚二酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氯茚二酮?
Yes, KEHONG BIO provides custom synthesis services for 氯茚二酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.