CAS RN: 132034-91-4
4 6-DIETHYLDIBENZOTHIOPHENE 97
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260118 | 250mg / 1g / 5g | Confirm by inquiry | Shanghai, Shandong | 8-10 business days | Inquiry |
- Product code: starshine_CAS132034-91-4
- Purity/Analytical Methods: >99.0%
132034-91-4 / 4,6-diethyldibenzothiophene
Basic Information
CAS
132034-91-4
Multi CAS
No
Molecular Formula
C16H16S
Molecular Weight
240.400000
Exact Mass
240.097272
SMILES
CCC1=C2C(=CC=C1)C3=CC=CC(=C3S2)CC
InChI
InChI=1S/C16H16S/c1-3-11-7-5-9-13-14-10-6-8-12(4-2)16(14)17-15(11)13/h5-10H,3-4H2,1-2H3
InChIKey
UMQGGSYHJPHWFV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
13
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
78.09
TPSA
28.2000
LogP / Solubility
WLOGP
5.18
MLOGP
4.56
XLogP3
5.9
Consensus LogP
5.21
Log S (ESOL)
-5.03
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.27
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.76
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)
-0.51
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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