CAS RN: 272460-97-6
Difunctional Ketosulphone
Product Availability
Choose a grade to view its available package options.
7 package records6 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251201 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20250224 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20250609 | 1g | Out of stock | 15 business days | Inquiry | |
| Batchno.20251007 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20260121 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20250520 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20250902 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS272460-97-6
- Purity/Analytical Methods: >99.0%
272460-97-6 / 1-[4-(4-benzoylphenyl)sulfanylphenyl]-2-methyl-2-(4-methylphenyl)sulfonylpropan-1-one
Basic Information
CAS
272460-97-6
Multi CAS
No
Molecular Formula
C30H26O4S2
Molecular Weight
514.700000
Exact Mass
514.127252
InChI
InChI=1S/C30H26O4S2/c1-21-9-19-27(20-10-21)36(33,34)30(2,3)29(32)24-13-17-26(18-14-24)35-25-15-11-23(12-16-25)28(31)22-7-5-4-6-8-22/h4-20H,1-3H3
InChIKey
JZKPKNSYAHAKJY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
36
Aromatic heavy atom count
24
Fraction Csp3
0.13
Rotatable bonds
8
H-bond acceptors
5
Molar refractivity
143.66
TPSA
68.28
LogP / Solubility
WLOGP
6.81
MLOGP
6.03
XLogP3
6.9
Consensus LogP
6.58
Log S (ESOL)
-7.29
Class (ESOL)
Insoluble
Log S (Ali)
-8.7
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.62
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.02
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
4.5
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