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CAS 3967-32-6 5-(1-Methyl-4-Piperidyl)5H-Dibenzo molecular structure lightbox
CAS RN: 3967-32-6

5-(1-Methyl-4-Piperidyl)5H-Dibenzo

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250331 5mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS3967-32-6
  • Purity/Analytical Methods: >99.0%
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3967-32-6 / 2-(1-methylpiperidin-4-yl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ol

Standard CAS: 3967-32-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
3967-32-6
Multi CAS
No
Molecular Formula
C21H23NO
Molecular Weight
305.400000
Exact Mass
305.177964
InChI
InChI=1S/C21H23NO/c1-22-14-12-18(13-15-22)21(23)19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21/h2-11,18,23H,12-15H2,1H3
InChIKey
NPSCPXDYXVEYQW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
95.03
TPSA
23.47

LogP / Solubility

WLOGP
3.75
MLOGP
3.31
XLogP3
3.8
Consensus LogP
3.62
Log S (ESOL)
-4.42
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.77
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.88
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.92

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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