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CAS 886588-61-0 3-(R)-PIPERIDINYL PHTHALIMIDE HYDROCHLORIDE molecular structure lightbox
CAS RN: 886588-61-0

3-(R)-PIPERIDINYL PHTHALIMIDE HYDROCHLORIDE

Product Availability

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3 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250419 1g / 5g / 25g Confirm by inquiry Shandong, Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250810 1g In stock Shanghai, Shandong Inquiry
Batchno.20250702 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS886588-61-0
  • Purity/Analytical Methods: >99.0%
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886588-61-0 / 2-[(3S)-piperidin-3-yl]isoindole-1,3-dione

Standard CAS: 886588-61-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
886588-61-0
Multi CAS
Yes
Molecular Formula
C13H14N2O2
Molecular Weight
230.260000
Exact Mass
230.105528
InChI
InChI=1S/C13H14N2O2/c16-12-10-5-1-2-6-11(10)13(17)15(12)9-4-3-7-14-8-9/h1-2,5-6,9,14H,3-4,7-8H2/t9-/m0/s1
InChIKey
POAZMSVKCTYEPJ-VIFPVBQESA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
62.83
TPSA
49.41

LogP / Solubility

WLOGP
1.03
MLOGP
0.91
XLogP3
1
Consensus LogP
0.98
Log S (ESOL)
-2.11
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.2
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.14
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)
-3.39

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
2

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