Cycloheptanone, 3-(2-phenyl-1,3-dithian-2-yl)-
TL;DR: Cycloheptanone, 3-(2-phenyl-1,3-dithian-2-yl)- (CAS 66124-76-3) is a chemical compound with molecular formula C17H22OS2 and molecular weight 306.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-phenyl-1,3-dithian-2-yl)cycloheptan-1-one
Also Known As: 3-(2-phenyl-1,3-dithian-2-yl)cycloheptan-1-one, 3-(2-Phenyl-1,3-dithian-2-yl)cycloheptanone, Cycloheptanone, 3-(2-phenyl-1,3-dithian-2-yl)-, J3.261.859F, 3-(2-Phenyl-1,3-dithiane-2-yl)cycloheptanone
| Molecular Formula | C17H22OS2 |
|---|---|
| Molecular Weight | 306.11 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 67.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 306.1112 |
| Heavy Atoms | 20 |
| Complexity | 330.0 |
Chemical Identifiers
| CAS Number | 66124-76-3 |
|---|---|
| SMILES | C1CCC(=O)CC(C1)C2(SCCCS2)C3=CC=CC=C3 |
| InChIKey | AFYUJLAUNKGHKY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cycloheptanone, 3-(2-phenyl-1,3-dithian-2-yl)- (CAS 66124-76-3), with molecular formula C17H22OS2 and molecular weight 306.11 g/mol. IUPAC: 3-(2-phenyl-1,3-dithian-2-yl)cycloheptan-1-one.
Chemical Property Profile of Cycloheptanone, 3-(2-phenyl-1,3-dithian-2-yl)-
Property Insights of Cycloheptanone, 3-(2-phenyl-1,3-dithian-2-yl)-
The XLogP value of 4.1 indicates that Cycloheptanone, 3-(2-phenyl-1,3-dithian-2-yl)- 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 Cycloheptanone, 3-(2-phenyl-1,3-dithian-2-yl)-. Following Lipinski's Rule of Five, Cycloheptanone, 3-(2-phenyl-1,3-dithian-2-yl)- 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 Cycloheptanone, 3-(2-phenyl-1,3-dithian-2-yl)-?
The CAS number of Cycloheptanone, 3-(2-phenyl-1,3-dithian-2-yl)- is 66124-76-3.
What is the molecular formula of Cycloheptanone, 3-(2-phenyl-1,3-dithian-2-yl)-?
The molecular formula of Cycloheptanone, 3-(2-phenyl-1,3-dithian-2-yl)- is C17H22OS2.
What is the molecular weight of Cycloheptanone, 3-(2-phenyl-1,3-dithian-2-yl)-?
The molecular weight of Cycloheptanone, 3-(2-phenyl-1,3-dithian-2-yl)- is 306.11 g/mol.
Where can I buy Cycloheptanone, 3-(2-phenyl-1,3-dithian-2-yl)-?
You can request a quote for Cycloheptanone, 3-(2-phenyl-1,3-dithian-2-yl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cycloheptanone, 3-(2-phenyl-1,3-dithian-2-yl)-?
Yes, KEHONG BIO provides custom synthesis services for Cycloheptanone, 3-(2-phenyl-1,3-dithian-2-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.