Phenalen-1-one, 9-mercapto-
TL;DR: Phenalen-1-one, 9-mercapto- (CAS 69915-28-2) is a chemical compound with molecular formula C13H8OS and molecular weight 212.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-sulfanylphenalen-1-one
Also Known As: Phenalen-1-one,9-mercapto-, Phenalen-1-one, 9-mercapto-, 9-sulfanylphenalen-1-one, 9-SULFANYL-1H-PHENALEN-1-ONE
| Molecular Formula | C13H8OS |
|---|---|
| Molecular Weight | 212.03 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 18.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 212.02959 |
| Heavy Atoms | 15 |
| Complexity | 310.0 |
Chemical Identifiers
| CAS Number | 69915-28-2 |
|---|---|
| SMILES | C1=CC2=C3C(=C1)C=CC(=O)C3=C(C=C2)S |
| InChIKey | NOWFYBYSAFRIGC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenalen-1-one, 9-mercapto- (CAS 69915-28-2), with molecular formula C13H8OS and molecular weight 212.03 g/mol. IUPAC: 9-sulfanylphenalen-1-one.
Chemical Property Profile of Phenalen-1-one, 9-mercapto-
Property Insights of Phenalen-1-one, 9-mercapto-
The XLogP value of 3.3 indicates that Phenalen-1-one, 9-mercapto- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.1 Ų, Phenalen-1-one, 9-mercapto- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenalen-1-one, 9-mercapto- has 1 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 Phenalen-1-one, 9-mercapto-?
The CAS number of Phenalen-1-one, 9-mercapto- is 69915-28-2.
What is the molecular formula of Phenalen-1-one, 9-mercapto-?
The molecular formula of Phenalen-1-one, 9-mercapto- is C13H8OS.
What is the molecular weight of Phenalen-1-one, 9-mercapto-?
The molecular weight of Phenalen-1-one, 9-mercapto- is 212.03 g/mol.
Where can I buy Phenalen-1-one, 9-mercapto-?
You can request a quote for Phenalen-1-one, 9-mercapto- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenalen-1-one, 9-mercapto-?
Yes, KEHONG BIO provides custom synthesis services for Phenalen-1-one, 9-mercapto- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.