![CAS 28667-63-2 2,11-Dithia[3.3]paracyclophane molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/d2210-jpgcontextbwfzdgvyfhjvb3r8mzy1otv8aw1hz2uvanblz3xomtgvagnhlzg5mjk5nzcxnze5otgvrdiymtauanbnfdg1zgu2zwqzzmm4n2u3yze4m2fkyti2n2q5mte2m2e5mzqwzjrlowi4zwewnjzhzwjiotjmntjimdaxntyyy2q.jpeg)
CAS RN: 28667-63-2
2,11-Dithia[3.3]paracyclophane
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250124 | 100mg | Out of stock | Inquiry |
- Product code: ICTD2210
- Purity/Analytical Methods: >98.0%(HPLC)
28667-63-2 / 3,10-dithiatricyclo[10.2.2.25,8]octadeca-1(15),5,7,12(16),13,17-hexaene
Basic Information
CAS
28667-63-2
Multi CAS
No
Molecular Formula
C16H16S2
Molecular Weight
272.400000
Exact Mass
272.069343
InChI
InChI=1S/C16H16S2/c1-2-14-4-3-13(1)9-17-11-15-5-7-16(8-6-15)12-18-10-14/h1-8H,9-12H2
InChIKey
CUWSXVJIPZWUGC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.25
H-bond acceptors
2
Molar refractivity
82.88
TPSA
50.6000
LogP / Solubility
WLOGP
4.87
MLOGP
4.29
XLogP3
3.9
Consensus LogP
4.35
Log S (ESOL)
-5.09
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.31
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.47
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.93
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
10
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![CAS 7369-66-6 Dihexyl N,N-Diethylcarbamylmethylenephosphonate [for Extraction of Lanthanides and Actinides] molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/d1663-jpgcontextbwfzdgvyfhjvb3r8mze2mjh8aw1hz2uvanblz3xomzqvagu4lzg5mjk5mta2nti5ntgvrde2njmuanbnfda2nteymjnlmwrmztczndk3mtq1mmnlndflyjkwzdvlnwrjyjvmyzfizjjhnzcyogmxmzyznzvjmthkodgzzmy.jpeg)
