CAS RN: 1329838-74-5
(3S)-AMinoquinuclidine-D1 Dihydrochloride
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260306 | 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1329838-74-5
- Purity/Analytical Methods: >99.0%
1329838-74-5 / (3S)-3-deuterio-1-azabicyclo[2.2.2]octan-3-amine
Basic Information
CAS
1329838-74-5
Multi CAS
No
Molecular Formula
C7H14N2
Molecular Weight
127.210000
Exact Mass
127.121975
SMILES
[2H][C@]1(CN2CCC1CC2)N
InChI
InChI=1S/C7H14N2/c8-7-5-9-3-1-6(7)2-4-9/h6-7H,1-5,8H2/t7-/m1/s1/i7D
InChIKey
REUAXQZIRFXQML-DZWZAEAASA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
37.14
TPSA
29.26
LogP / Solubility
WLOGP
0.04
MLOGP
0.03
XLogP3
-0.1
Consensus LogP
-0.01
Log S (ESOL)
-0.65
Class (ESOL)
Very soluble
Log S (Ali)
-0.62
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.51
Class (SILICOS-IT)
Very 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)
-3.46
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
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