CAS RN: 19557-29-0
(1r,3r,5r,7r)-2-oxa-6-azaadaMantane
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250611 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS19557-29-0
- Purity/Analytical Methods: >99.0%
19557-29-0 / 2-oxa-6-azatricyclo[3.3.1.13,7]decane
Basic Information
CAS
19557-29-0
Multi CAS
No
Molecular Formula
C8H13NO
Molecular Weight
139.190000
Exact Mass
139.099714
SMILES
C1C2CC3CC(N2)CC1O3
InChI
InChI=1S/C8H13NO/c1-5-2-8-4-6(9-5)3-7(1)10-8/h5-9H,1-4H2
InChIKey
BYUVHGGRVBURLF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
37.84
TPSA
21.26
LogP / Solubility
WLOGP
0.67
MLOGP
0.58
XLogP3
0.7
Consensus LogP
0.65
Log S (ESOL)
-1.12
Class (ESOL)
Soluble
Log S (Ali)
-1.18
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.12
Class (SILICOS-IT)
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)
-3.09
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6
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