茴茚二酮
TL;DR: 茴茚二酮 (CAS 117-37-3) is a chemical compound with molecular formula C16H12O3 and molecular weight 252.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
茴茚二酮
2-(4-methoxyphenyl)indene-1,3-dione
Also Known As: anisindione, Miradon, Anisin indandione, Unidone, Anisindiona
| Molecular Formula | C16H12O3 |
|---|---|
| Molecular Weight | 252.08 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 252.07864 |
| Heavy Atoms | 19 |
| Complexity | 344.0 |
| Melting Point | 155-156 |
| Solubility | 79.8 |
Chemical Identifiers
| CAS Number | 117-37-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2C(=O)C3=CC=CC=C3C2=O |
| InChIKey | XRCFXMGQEVUZFC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
茴茚二酮 (CAS 117-37-3), with molecular formula C16H12O3 and molecular weight 252.08 g/mol. IUPAC: 2-(4-methoxyphenyl)indene-1,3-dione.
Chemical Property Profile of 茴茚二酮
Property Insights of 茴茚二酮
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 茴茚二酮. With a topological polar surface area (TPSA) of 43.4 Ų, 茴茚二酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 茴茚二酮 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 茴茚二酮?
The CAS number of 茴茚二酮 is 117-37-3.
What is the molecular formula of 茴茚二酮?
The molecular formula of 茴茚二酮 is C16H12O3.
What is the molecular weight of 茴茚二酮?
The molecular weight of 茴茚二酮 is 252.08 g/mol.
Where can I buy 茴茚二酮?
You can request a quote for 茴茚二酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 茴茚二酮?
Yes, KEHONG BIO provides custom synthesis services for 茴茚二酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.