茚三酮
TL;DR: 茚三酮 (CAS 485-47-2) is a chemical compound with molecular formula C9H6O4 and molecular weight 178.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
茚三酮
2,2-dihydroxyindene-1,3-dione
Also Known As: NINHYDRIN, Ninhydrin hydrate, Ninhydrine, Triketohydrindene hydrate, 1,2,3-Indantrione monohydrate
| Molecular Formula | C9H6O4 |
|---|---|
| Molecular Weight | 178.03 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 178.02661 |
| Heavy Atoms | 13 |
| Complexity | 243.0 |
| Melting Point | 466 to 242.8 °C (Decomposes) |
| Density | 0.862 @25 °C |
| Solubility | 1 to 5 mg/mL at 68 °F (NTP, 1992) |
| Vapor Pressure | 0.00000024 [mmHg] |
| GHS Signal | Warning |
| H-Statements | H302, H315, H319 |
Chemical Identifiers
| CAS Number | 485-47-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C(C2=O)(O)O |
| InChIKey | FEMOMIGRRWSMCU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
茚三酮 (CAS 485-47-2), with molecular formula C9H6O4 and molecular weight 178.03 g/mol. IUPAC: 2,2-dihydroxyindene-1,3-dione.
Chemical Property Profile of 茚三酮
Property Insights of 茚三酮
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 茚三酮. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 茚三酮. Following Lipinski's Rule of Five, 茚三酮 has 2 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 茚三酮?
The CAS number of 茚三酮 is 485-47-2.
What is the molecular formula of 茚三酮?
The molecular formula of 茚三酮 is C9H6O4.
What is the molecular weight of 茚三酮?
The molecular weight of 茚三酮 is 178.03 g/mol.
Where can I buy 茚三酮?
You can request a quote for 茚三酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 茚三酮?
Yes, KEHONG BIO provides custom synthesis services for 茚三酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.