CAS RN: 59801-41-1
4-(4-Hydroxybutyl)thiomorpholine 1,1-Dioxide
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.20260124 | 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: ICTH1142
- Purity/Analytical Methods: >98.0%(GC)(T)
59801-41-1 / 4-(1,1-dioxo-1,4-thiazinan-4-yl)butan-1-ol
Basic Information
CAS
59801-41-1
Multi CAS
No
Molecular Formula
C8H17NO3S
Molecular Weight
207.290000
Exact Mass
207.092915
InChI
InChI=1S/C8H17NO3S/c10-6-2-1-3-9-4-7-13(11,12)8-5-9/h10H,1-8H2
InChIKey
STKAHXPYHDVHGO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
51.41
TPSA
57.61
LogP / Solubility
WLOGP
-0.51
MLOGP
-0.45
XLogP3
-0.6
Consensus LogP
-0.52
Log S (ESOL)
-0.54
Class (ESOL)
Very soluble
Log S (Ali)
-0.89
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.06
Class (SILICOS-IT)
Soluble
ADME
GI absorption
Low
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)
-4.35
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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