2-(1,3-Dithiolan-2-yl)-3,4-dihydronaphthalen-1(2H)-one
TL;DR: 2-(1,3-Dithiolan-2-yl)-3,4-dihydronaphthalen-1(2H)-one (CAS 60575-31-7) is a chemical compound with molecular formula C13H14OS2 and molecular weight 250.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-dithiolan-2-yl)-3,4-dihydro-2H-naphthalen-1-one
Also Known As: 3,4-Dihydro-2-(1,3-dithiolan-2-yl)-1(2H)-naphthalenone, 1(2H)-NAPHTHALENONE, 3,4-DIHYDRO-2-(1,3-DITHIOLAN-2-YL)-, 2-(1,3-dithiolan-2-yl)-3,4-dihydro-2H-naphthalen-1-one, 2-(1,3-Dithiolan-2-yl)-3,4-dihydronaphthalen-1(2H)-one, RefChem:1060618
| Molecular Formula | C13H14OS2 |
|---|---|
| Molecular Weight | 250.05 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 67.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 250.04861 |
| Heavy Atoms | 16 |
| Complexity | 273.0 |
Chemical Identifiers
| CAS Number | 60575-31-7 |
|---|---|
| SMILES | C1CC2=CC=CC=C2C(=O)C1C3SCCS3 |
| InChIKey | JZFCYFMJVXMRFT-UHFFFAOYSA-N |
Product Overview
2-(1,3-Dithiolan-2-yl)-3,4-dihydronaphthalen-1(2H)-one (CAS 60575-31-7), with molecular formula C13H14OS2 and molecular weight 250.05 g/mol. IUPAC: 2-(1,3-dithiolan-2-yl)-3,4-dihydro-2H-naphthalen-1-one.
Chemical Property Profile of 2-(1,3-Dithiolan-2-yl)-3,4-dihydronaphthalen-1(2H)-one
Property Insights of 2-(1,3-Dithiolan-2-yl)-3,4-dihydronaphthalen-1(2H)-one
The XLogP value of 3.3 indicates that 2-(1,3-Dithiolan-2-yl)-3,4-dihydronaphthalen-1(2H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-Dithiolan-2-yl)-3,4-dihydronaphthalen-1(2H)-one. Following Lipinski's Rule of Five, 2-(1,3-Dithiolan-2-yl)-3,4-dihydronaphthalen-1(2H)-one 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 2-(1,3-Dithiolan-2-yl)-3,4-dihydronaphthalen-1(2H)-one?
The CAS number of 2-(1,3-Dithiolan-2-yl)-3,4-dihydronaphthalen-1(2H)-one is 60575-31-7.
What is the molecular formula of 2-(1,3-Dithiolan-2-yl)-3,4-dihydronaphthalen-1(2H)-one?
The molecular formula of 2-(1,3-Dithiolan-2-yl)-3,4-dihydronaphthalen-1(2H)-one is C13H14OS2.
What is the molecular weight of 2-(1,3-Dithiolan-2-yl)-3,4-dihydronaphthalen-1(2H)-one?
The molecular weight of 2-(1,3-Dithiolan-2-yl)-3,4-dihydronaphthalen-1(2H)-one is 250.05 g/mol.
Where can I buy 2-(1,3-Dithiolan-2-yl)-3,4-dihydronaphthalen-1(2H)-one?
You can request a quote for 2-(1,3-Dithiolan-2-yl)-3,4-dihydronaphthalen-1(2H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-Dithiolan-2-yl)-3,4-dihydronaphthalen-1(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-Dithiolan-2-yl)-3,4-dihydronaphthalen-1(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.