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CAS 1403766-66-4 8-Boc-8-azabicyclo[3.2.1]octane-2-methanol molecular structure lightbox
CAS RN: 1403766-66-4

8-Boc-8-azabicyclo[3.2.1]octane-2-methanol

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250825 100mg / 500mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1403766-66-4
  • Purity/Analytical Methods: >99.0%
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1403766-66-4 / tert-butyl 2-(hydroxymethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate

Standard CAS: 1403766-66-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1403766-66-4
Multi CAS
No
Molecular Formula
C13H23NO3
Molecular Weight
241.330000
Exact Mass
241.167794
SMILES
CC(C)(C)OC(=O)N1C2CCC(C1CC2)CO
InChI
InChI=1S/C13H23NO3/c1-13(2,3)17-12(16)14-10-5-4-9(8-15)11(14)7-6-10/h9-11,15H,4-8H2,1-3H3
InChIKey
IKGDPTPUGDALBW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.92
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
64.69
TPSA
49.77

LogP / Solubility

WLOGP
2.16
MLOGP
1.9
XLogP3
1.8
Consensus LogP
1.95
Log S (ESOL)
-2.63
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.1
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.14
Class (SILICOS-IT)
Poorly 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)
-2.66

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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