Bicyclo(3.1.1)heptan-3-one, 2-(1,3-dithiolan-2-yl)-4,6,6-trimethyl-
TL;DR: Bicyclo(3.1.1)heptan-3-one, 2-(1,3-dithiolan-2-yl)-4,6,6-trimethyl- (CAS 60771-15-5) is a chemical compound with molecular formula C13H20OS2 and molecular weight 256.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-dithiolan-2-yl)-4,6,6-trimethylbicyclo[3.1.1]heptan-3-one
Also Known As: 2-(1,3-Dithiolan-2-yl)-4,6,6-trimethylbicyclo(3.1.1)heptan-3-one, BICYCLO(3.1.1)HEPTAN-3-ONE, 2-(1,3-DITHIOLAN-2-YL)-4,6,6-TRIMETHYL-, 2-(1,3-dithiolan-2-yl)-4,7,7-trimethylbicyclo[3.1.1]heptan-3-one, 2-(1,3-Dithiolan-2-yl)-4,6,6-trimethylbicyclo[3.1.1]heptan-3-one, 4-(1,3-dithiolan-2-yl)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-one
| Molecular Formula | C13H20OS2 |
|---|---|
| Molecular Weight | 256.10 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 67.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 256.09555 |
| Heavy Atoms | 16 |
| Complexity | 320.0 |
Chemical Identifiers
| CAS Number | 60771-15-5 |
|---|---|
| SMILES | CC1C2CC(C2(C)C)C(C1=O)C3SCCS3 |
| InChIKey | HMBSIVDUNBKZJS-UHFFFAOYSA-N |
Product Overview
Bicyclo(3.1.1)heptan-3-one, 2-(1,3-dithiolan-2-yl)-4,6,6-trimethyl- (CAS 60771-15-5), with molecular formula C13H20OS2 and molecular weight 256.10 g/mol. IUPAC: 2-(1,3-dithiolan-2-yl)-4,6,6-trimethylbicyclo[3.1.1]heptan-3-one.
Chemical Property Profile of Bicyclo(3.1.1)heptan-3-one, 2-(1,3-dithiolan-2-yl)-4,6,6-trimethyl-
Property Insights of Bicyclo(3.1.1)heptan-3-one, 2-(1,3-dithiolan-2-yl)-4,6,6-trimethyl-
The XLogP value of 3.5 indicates that Bicyclo(3.1.1)heptan-3-one, 2-(1,3-dithiolan-2-yl)-4,6,6-trimethyl- 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 Bicyclo(3.1.1)heptan-3-one, 2-(1,3-dithiolan-2-yl)-4,6,6-trimethyl-. Following Lipinski's Rule of Five, Bicyclo(3.1.1)heptan-3-one, 2-(1,3-dithiolan-2-yl)-4,6,6-trimethyl- 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 Bicyclo(3.1.1)heptan-3-one, 2-(1,3-dithiolan-2-yl)-4,6,6-trimethyl-?
The CAS number of Bicyclo(3.1.1)heptan-3-one, 2-(1,3-dithiolan-2-yl)-4,6,6-trimethyl- is 60771-15-5.
What is the molecular formula of Bicyclo(3.1.1)heptan-3-one, 2-(1,3-dithiolan-2-yl)-4,6,6-trimethyl-?
The molecular formula of Bicyclo(3.1.1)heptan-3-one, 2-(1,3-dithiolan-2-yl)-4,6,6-trimethyl- is C13H20OS2.
What is the molecular weight of Bicyclo(3.1.1)heptan-3-one, 2-(1,3-dithiolan-2-yl)-4,6,6-trimethyl-?
The molecular weight of Bicyclo(3.1.1)heptan-3-one, 2-(1,3-dithiolan-2-yl)-4,6,6-trimethyl- is 256.10 g/mol.
Where can I buy Bicyclo(3.1.1)heptan-3-one, 2-(1,3-dithiolan-2-yl)-4,6,6-trimethyl-?
You can request a quote for Bicyclo(3.1.1)heptan-3-one, 2-(1,3-dithiolan-2-yl)-4,6,6-trimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bicyclo(3.1.1)heptan-3-one, 2-(1,3-dithiolan-2-yl)-4,6,6-trimethyl-?
Yes, KEHONG BIO provides custom synthesis services for Bicyclo(3.1.1)heptan-3-one, 2-(1,3-dithiolan-2-yl)-4,6,6-trimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.