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CAS 1159826-40-0 tert-butyl 3-(aMinoMethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate molecular structure lightbox
CAS RN: 1159826-40-0

tert-butyl 3-(aMinoMethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260102 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-015921
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1159826-40-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1159826-40-0 / tert-butyl 3-(aminomethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate

exo-3-(Boc-aminomethyl)-8-azabicyclo[3.2.1]octane | tert-butyl N-{8-azabicyclo[3.2.1]octan-3-ylmethyl}carbamate | tert-Butyl (8-azabicyclo[3.2.1]octan-3-ylmethyl)carbamate

Standard CAS: 1159826-40-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1159826-40-0
Multi CAS
Yes
Molecular Formula
C13H24N2O2
Molecular Weight
240.340000
Exact Mass
240.183778
SMILES
CC(C)(C)OC(=O)N1C2CCC1CC(C2)CN
InChI
InChI=1S/C13H24N2O2/c1-13(2,3)17-12(16)15-10-4-5-11(15)7-9(6-10)8-14/h9-11H,4-8,14H2,1-3H3
InChIKey
JYURWVQSNWVJSV-UHFFFAOYSA-N
Synonyms
exo-3-(Boc-aminomethyl)-8-azabicyclo[3.2.1]octane tert-butyl N-{8-azabicyclo[3.2.1]octan-3-ylmethyl}carbamate tert-Butyl (8-azabicyclo[3.2.1]octan-3-ylmethyl)carbamate tert-butyl N-({8-azabicyclo[3.2.1]octan-3-yl}methyl)carbamate tert-Butyl n-((8-azabicyclo[3.2.1]octan-3-yl)methyl)carbamate

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
66.66
TPSA
55.56

LogP / Solubility

WLOGP
2.12
MLOGP
1.87
XLogP3
1.5
Consensus LogP
1.83
Log S (ESOL)
-2.6
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.06
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.1
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)
-2.68

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5

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