1,3-Dihydro-2-phenalenone
TL;DR: 1,3-Dihydro-2-phenalenone (CAS 39054-97-2) is a chemical compound with molecular formula C13H10O and molecular weight 182.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dihydrophenalen-2-one
Also Known As: 1,3-Dihydro-2-phenalenone, 1H-phenalen-2(3H)-one, 1,3-dihydrophenalen-2-one, 2,3-dihydrophenalen-2-one, 2,3-dihydro-1H-phenalen-2-one
| Molecular Formula | C13H10O |
|---|---|
| Molecular Weight | 182.07 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 182.07317 |
| Heavy Atoms | 14 |
| Complexity | 224.0 |
Chemical Identifiers
| CAS Number | 39054-97-2 |
|---|---|
| SMILES | C1C(=O)CC2=CC=CC3=C2C1=CC=C3 |
| InChIKey | NAELYKSAHIYOSK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Dihydro-2-phenalenone (CAS 39054-97-2), with molecular formula C13H10O and molecular weight 182.07 g/mol. IUPAC: 1,3-dihydrophenalen-2-one.
Chemical Property Profile of 1,3-Dihydro-2-phenalenone
Property Insights of 1,3-Dihydro-2-phenalenone
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dihydro-2-phenalenone. With a topological polar surface area (TPSA) of 17.1 Ų, 1,3-Dihydro-2-phenalenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dihydro-2-phenalenone 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 1,3-Dihydro-2-phenalenone?
The CAS number of 1,3-Dihydro-2-phenalenone is 39054-97-2.
What is the molecular formula of 1,3-Dihydro-2-phenalenone?
The molecular formula of 1,3-Dihydro-2-phenalenone is C13H10O.
What is the molecular weight of 1,3-Dihydro-2-phenalenone?
The molecular weight of 1,3-Dihydro-2-phenalenone is 182.07 g/mol.
Where can I buy 1,3-Dihydro-2-phenalenone?
You can request a quote for 1,3-Dihydro-2-phenalenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dihydro-2-phenalenone?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dihydro-2-phenalenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.