[email protected]
CAS 595-50-6 Diisopropyl sulfone molecular structure lightbox
CAS RN: 595-50-6

Diisopropyl sulfone

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250418 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS595-50-6
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

595-50-6 / 2-propan-2-ylsulfonylpropane

Standard CAS: 595-50-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
595-50-6
Multi CAS
Yes
Molecular Formula
C6H14O2S
Molecular Weight
150.240000
Exact Mass
150.071451
InChI
InChI=1S/C6H14O2S/c1-5(2)9(7,8)6(3)4/h5-6H,1-4H3
InChIKey
ZDULHUHNYHJYKA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
39.19
TPSA
34.14

LogP / Solubility

WLOGP
1.22
MLOGP
1.07
XLogP3
1.2
Consensus LogP
1.16
Log S (ESOL)
-1.41
Class (ESOL)
Soluble
Log S (Ali)
-1.67
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.89
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.77

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us