CAS RN: 916791-30-5
(3-HydroxyMethyl-piperidin-1-yl)-thiophen-3-yl-Methanone, 98+% C11H15NO2S, MW: 225.31
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.20260125 | 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS916791-30-5
- Purity/Analytical Methods: >99.0%
916791-30-5 / [3-(hydroxymethyl)piperidin-1-yl]-thiophen-3-ylmethanone
Basic Information
CAS
916791-30-5
Multi CAS
No
Molecular Formula
C11H15NO2S
Molecular Weight
225.310000
Exact Mass
225.082350
InChI
InChI=1S/C11H15NO2S/c13-7-9-2-1-4-12(6-9)11(14)10-3-5-15-8-10/h3,5,8-9,13H,1-2,4,6-7H2
InChIKey
ZOQNJFMZWPRUCS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
5
Fraction Csp3
0.55
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
60.03
TPSA
40.54
LogP / Solubility
WLOGP
1.59
MLOGP
1.4
XLogP3
1.1
Consensus LogP
1.36
Log S (ESOL)
-2.35
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.56
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.69
Class (SILICOS-IT)
Moderately 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)
-2.96
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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