苯茚二酮
TL;DR: 苯茚二酮 (CAS 83-12-5) is a chemical compound with molecular formula C15H10O2 and molecular weight 222.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苯茚二酮
2-phenylindene-1,3-dione
Also Known As: phenindione, 2-Phenyl-1,3-indandione, Rectadione, Dindevan, Danilone
| Molecular Formula | C15H10O2 |
|---|---|
| Molecular Weight | 222.07 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 222.06808 |
| Heavy Atoms | 17 |
| Complexity | 304.0 |
| Melting Point | 150 |
| Solubility | 27 |
Chemical Identifiers
| CAS Number | 83-12-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2C(=O)C3=CC=CC=C3C2=O |
| InChIKey | NFBAXHOPROOJAW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
苯茚二酮 (CAS 83-12-5), with molecular formula C15H10O2 and molecular weight 222.07 g/mol. IUPAC: 2-phenylindene-1,3-dione.
Chemical Property Profile of 苯茚二酮
Property Insights of 苯茚二酮
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 苯茚二酮. With a topological polar surface area (TPSA) of 34.1 Ų, 苯茚二酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 苯茚二酮 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 苯茚二酮?
The CAS number of 苯茚二酮 is 83-12-5.
What is the molecular formula of 苯茚二酮?
The molecular formula of 苯茚二酮 is C15H10O2.
What is the molecular weight of 苯茚二酮?
The molecular weight of 苯茚二酮 is 222.07 g/mol.
Where can I buy 苯茚二酮?
You can request a quote for 苯茚二酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苯茚二酮?
Yes, KEHONG BIO provides custom synthesis services for 苯茚二酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.