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CAS 371975-46-1 tert-butyl 4-hydroxy-4-vinylpiperidine-1-carboxylate molecular structure lightbox
CAS RN: 371975-46-1

tert-butyl 4-hydroxy-4-vinylpiperidine-1-carboxylate

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250221 100mg / 1g / 5g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS371975-46-1
  • Purity/Analytical Methods: >99.0%
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371975-46-1 / tert-butyl 4-ethenyl-4-hydroxypiperidine-1-carboxylate

Standard CAS: 371975-46-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
371975-46-1
Multi CAS
No
Molecular Formula
C12H21NO3
Molecular Weight
227.300000
Exact Mass
227.152144
InChI
InChI=1S/C12H21NO3/c1-5-12(15)6-8-13(9-7-12)10(14)16-11(2,3)4/h5,15H,1,6-9H2,2-4H3
InChIKey
ZAPXTHCEAQVIDX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.75
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
62.19
TPSA
49.77

LogP / Solubility

WLOGP
1.93
MLOGP
1.71
XLogP3
1.4
Consensus LogP
1.68
Log S (ESOL)
-2.4
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.82
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.86
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)
-2.73

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
1.5

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