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CAS 916791-32-7 1-(3-Hydroxy-piperidin-1-yl)-2-thiophen-3-yl-ethanone, 98+% C11H15NO2S, MW: 225.31 molecular structure lightbox
CAS RN: 916791-32-7

1-(3-Hydroxy-piperidin-1-yl)-2-thiophen-3-yl-ethanone, 98+% C11H15NO2S, MW: 225.31

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251025 500mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS916791-32-7
  • Purity/Analytical Methods: >99.0%
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916791-32-7 / 1-(3-hydroxypiperidin-1-yl)-2-thiophen-3-ylethanone

Standard CAS: 916791-32-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
916791-32-7
Multi CAS
No
Molecular Formula
C11H15NO2S
Molecular Weight
225.310000
Exact Mass
225.082350
InChI
InChI=1S/C11H15NO2S/c13-10-2-1-4-12(7-10)11(14)6-9-3-5-15-8-9/h3,5,8,10,13H,1-2,4,6-7H2
InChIKey
YUIAHIVECVNOAT-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
59.84
TPSA
40.54

LogP / Solubility

WLOGP
1.27
MLOGP
1.12
XLogP3
0.9
Consensus LogP
1.1
Log S (ESOL)
-2.15
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.33
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.42
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)
-3.19

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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