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CAS 1419101-30-6 8-boc-2-hydroxy-8-azabicyclo[3.2.1]octane molecular structure lightbox
CAS RN: 1419101-30-6

8-boc-2-hydroxy-8-azabicyclo[3.2.1]octane

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251001 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1419101-30-6
  • Purity/Analytical Methods: >99.0%
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1419101-30-6 / tert-butyl 2-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate

Standard CAS: 1419101-30-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1419101-30-6
Multi CAS
No
Molecular Formula
C12H21NO3
Molecular Weight
227.300000
Exact Mass
227.152144
SMILES
CC(C)(C)OC(=O)N1C2CCC1C(CC2)O
InChI
InChI=1S/C12H21NO3/c1-12(2,3)16-11(15)13-8-4-6-9(13)10(14)7-5-8/h8-10,14H,4-7H2,1-3H3
InChIKey
SOFQURHPMOOMIL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.92
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
60.12
TPSA
49.77

LogP / Solubility

WLOGP
1.91
MLOGP
1.68
XLogP3
1.6
Consensus LogP
1.73
Log S (ESOL)
-2.45
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.8
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.72
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)
-2.75

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5

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