CAS RN: 83846-85-9
4-Benzoyl 4′-Methyldiphenyl Sulfide
Product Availability
Choose a grade to view its available package options.
9 package records6 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260402 | 100g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20260327 | 1g / 5g / 25g / 100g | Confirm by inquiry | Shanghai, Shandong, Hebei | Inquiry |
| Batchno.20250807 | 25g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20251102 | 500g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20250305 | 5g | In stock | Shanghai, Tianjin, Chengdu | Inquiry |
- Product code: ICTB1267
- Purity/Analytical Methods: >98.0%(GC)
83846-85-9 / [4-(4-methylphenyl)sulfanylphenyl]-phenylmethanone
Basic Information
CAS
83846-85-9
Multi CAS
Yes
Molecular Formula
C20H16OS
Molecular Weight
304.400000
Exact Mass
304.092186
InChI
InChI=1S/C20H16OS/c1-15-7-11-18(12-8-15)22-19-13-9-17(10-14-19)20(21)16-5-3-2-4-6-16/h2-14H,1H3
InChIKey
DBHQYYNDKZDVTN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
18
Fraction Csp3
0.05
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
91.62
TPSA
17.07
LogP / Solubility
WLOGP
5.38
MLOGP
4.74
XLogP3
5.9
Consensus LogP
5.34
Log S (ESOL)
-5.46
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.94
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.58
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.76
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
