CAS RN: 916791-29-2
(3-Hydroxy-piperidin-1-yl)-thiophen-3-yl-Methanone, 98+% C10H13NO2S, MW: 211.28
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.20260504 | 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS916791-29-2
- Purity/Analytical Methods: >99.0%
916791-29-2 / (3-hydroxypiperidin-1-yl)-thiophen-3-ylmethanone
Basic Information
CAS
916791-29-2
Multi CAS
No
Molecular Formula
C10H13NO2S
Molecular Weight
211.280000
Exact Mass
211.066700
InChI
InChI=1S/C10H13NO2S/c12-9-2-1-4-11(6-9)10(13)8-3-5-14-7-8/h3,5,7,9,12H,1-2,4,6H2
InChIKey
CUFFLLMLPBPXBZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
55.46
TPSA
40.54
LogP / Solubility
WLOGP
1.35
MLOGP
1.18
XLogP3
0.9
Consensus LogP
1.14
Log S (ESOL)
-2.2
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.26
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.27
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)
-3.05
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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