CAS RN: 67006-34-2
1,3-Bis(2-hydroxyethylsulfonyl)-2-propanol
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260122 | 5g | In stock | Shanghai | Inquiry |
- Product code: ICTB2699
- Purity/Analytical Methods: >93.0%(GC)
67006-34-2 / 1,3-bis(2-hydroxyethylsulfonyl)propan-2-ol
Basic Information
CAS
67006-34-2
Multi CAS
Yes
Molecular Formula
C7H16O7S2
Molecular Weight
276.300000
Exact Mass
276.033745
InChI
InChI=1S/C7H16O7S2/c8-1-3-15(11,12)5-7(10)6-16(13,14)4-2-9/h7-10H,1-6H2
InChIKey
CVFXDAXIZHJZAH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
1
Rotatable bonds
8
H-bond acceptors
7
H-bond donors
3
Molar refractivity
57.49
TPSA
128.97
LogP / Solubility
WLOGP
-2.84
MLOGP
-2.49
XLogP3
-3
Consensus LogP
-2.78
Log S (ESOL)
0.76
Class (ESOL)
Highly soluble
Log S (Ali)
0.22
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
-0.06
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.42
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
