CAS RN: 60434-71-1
(S)-(-)-1,2-PROPANEDIOL DI-P-TOSYLATE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250306 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS60434-71-1
- Purity/Analytical Methods: >99.0%
60434-71-1 / [(2S)-2-(4-methylphenyl)sulfonyloxypropyl] 4-methylbenzenesulfonate
Basic Information
CAS
60434-71-1
Multi CAS
Yes
Molecular Formula
C17H20O6S2
Molecular Weight
384.500000
Exact Mass
384.070131
InChI
InChI=1S/C17H20O6S2/c1-13-4-8-16(9-5-13)24(18,19)22-12-15(3)23-25(20,21)17-10-6-14(2)7-11-17/h4-11,15H,12H2,1-3H3
InChIKey
QSFWYZTZYVIPGD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.29
Rotatable bonds
7
H-bond acceptors
6
Molar refractivity
93.23
TPSA
86.74
LogP / Solubility
WLOGP
2.8
MLOGP
2.49
XLogP3
3.3
Consensus LogP
2.86
Log S (ESOL)
-3.88
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.74
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.33
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
Yes
Log Kp (skin permeation)
-3.08
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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