[email protected]
CAS 1638759-74-6 tert-butyl 5-amino-2-azabicyclo[2.2.2]octane-2-carboxylate molecular structure lightbox
CAS RN: 1638759-74-6

tert-butyl 5-amino-2-azabicyclo[2.2.2]octane-2-carboxylate

  • Product code: SSC-071304
GET A QUOTE
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: 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 1638759-74-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

1638759-74-6 / tert-butyl 5-amino-2-azabicyclo[2.2.2]octane-2-carboxylate

Standard CAS: 1638759-74-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1638759-74-6
Multi CAS
No
Molecular Formula
C12H22N2O2
Molecular Weight
226.320000
Exact Mass
226.168128
SMILES
CC(C)(C)OC(=O)N1CC2CCC1CC2N
InChI
InChI=1S/C12H22N2O2/c1-12(2,3)16-11(15)14-7-8-4-5-9(14)6-10(8)13/h8-10H,4-7,13H2,1-3H3
InChIKey
SIFPHPJZXMHDLP-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
62.04
TPSA
55.56

LogP / Solubility

WLOGP
1.73
MLOGP
1.53
XLogP3
1.2
Consensus LogP
1.49
Log S (ESOL)
-2.34
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.67
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.57
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)
-2.87

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us