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CAS 732275-93-3 1-BOC-4-(4-FORMYLPHENYL)PIPERIDINE molecular structure lightbox
CAS RN: 732275-93-3

1-BOC-4-(4-FORMYLPHENYL)PIPERIDINE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250419 250mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS732275-93-3
  • Purity/Analytical Methods: >99.0%
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732275-93-3 / tert-butyl 4-(4-formylphenyl)piperidine-1-carboxylate

Standard CAS: 732275-93-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
732275-93-3
Multi CAS
No
Molecular Formula
C17H23NO3
Molecular Weight
289.400000
Exact Mass
289.167794
InChI
InChI=1S/C17H23NO3/c1-17(2,3)21-16(20)18-10-8-15(9-11-18)14-6-4-13(12-19)5-7-14/h4-7,12,15H,8-11H2,1-3H3
InChIKey
GQPLMKUWBWJJML-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
81.61
TPSA
46.61

LogP / Solubility

WLOGP
3.61
MLOGP
3.19
XLogP3
2.8
Consensus LogP
3.2
Log S (ESOL)
-3.99
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.54
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.78
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
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
2.5

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