苯并蒽酮
TL;DR: 苯并蒽酮 (CAS 82-05-3) is a chemical compound with molecular formula C17H10O and molecular weight 230.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苯并蒽酮
benzo[a]phenalen-7-one
Also Known As: BENZANTHRONE, Benzanthrenone, Naphthanthrone, Mesobenzanthrone, Benzoanthrone
| Molecular Formula | C17H10O |
|---|---|
| Molecular Weight | 230.07 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 230.07317 |
| Heavy Atoms | 18 |
| Complexity | 348.0 |
| Melting Point | 170.0 °C |
| Solubility | @ 20 °C: 0.52 G IN 100 G GLACIAL ACETIC ACID |
| Vapor Pressure | 1 mmHg at 225.0 °C ; 40 mmHg at 350.0 °C |
Chemical Identifiers
| CAS Number | 82-05-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=CC=CC4=C3C(=CC=C4)C2=O |
| InChIKey | HUKPVYBUJRAUAG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
苯并蒽酮 (CAS 82-05-3), with molecular formula C17H10O and molecular weight 230.07 g/mol. IUPAC: benzo[a]phenalen-7-one.
Chemical Property Profile of 苯并蒽酮
Property Insights of 苯并蒽酮
The XLogP value of 4.3 indicates that 苯并蒽酮 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 苯并蒽酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 苯并蒽酮 has 0 hydrogen bond donor(s) and 1 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 苯并蒽酮?
The CAS number of 苯并蒽酮 is 82-05-3.
What is the molecular formula of 苯并蒽酮?
The molecular formula of 苯并蒽酮 is C17H10O.
What is the molecular weight of 苯并蒽酮?
The molecular weight of 苯并蒽酮 is 230.07 g/mol.
Where can I buy 苯并蒽酮?
You can request a quote for 苯并蒽酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苯并蒽酮?
Yes, KEHONG BIO provides custom synthesis services for 苯并蒽酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.