![CAS 5184-64-5 Benzene,1,3,5-trimethyl-2-[(4-methylphenyl)sulfonyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/5184-64-5.gif)
CAS RN: 5184-64-5
Benzene,1,3,5-trimethyl-2-[(4-methylphenyl)sulfonyl]-
Product Availability
Choose a grade to view its available package options.
11 package records9 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250719 | 100mg | In stock | Shenzhen | Inquiry |
| Batchno.20250303 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20260525 | 1g | Out of stock | Inquiry | |
| Batchno.20250730 | 250mg | Out of stock | Inquiry | |
| Batchno.20260607 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20250820 | 2mg | In stock | Shanghai | Inquiry |
| Batchno.20250415 | 50mg | In stock | Shanghai, Shenzhen | Inquiry |
| Batchno.20260111 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS5184-64-5
- Purity/Analytical Methods: >99.0%
5184-64-5 / 1,3,5-trimethyl-2-(4-methylphenyl)sulfonylbenzene
Basic Information
CAS
5184-64-5
Multi CAS
Yes
Molecular Formula
C16H18O2S
Molecular Weight
274.400000
Exact Mass
274.102751
InChI
InChI=1S/C16H18O2S/c1-11-5-7-15(8-6-11)19(17,18)16-13(3)9-12(2)10-14(16)4/h5-10H,1-4H3
InChIKey
CGPHOZWFSFNOEQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
77.28
TPSA
34.14
LogP / Solubility
WLOGP
3.75
MLOGP
3.31
XLogP3
4.1
Consensus LogP
3.72
Log S (ESOL)
-4.24
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.52
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.8
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)
-1.73
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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