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
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
1363378-17-9 / [(2S)-1-methylazetidin-2-yl]methanamine
Basic Information
CAS
1363378-17-9
Multi CAS
No
Molecular Formula
C5H12N2
Molecular Weight
100.160000
Exact Mass
100.100048
SMILES
CN1CC[C@H]1CN
InChI
InChI=1S/C5H12N2/c1-7-3-2-5(7)4-6/h5H,2-4,6H2,1H3/t5-/m0/s1
InChIKey
QVSTZIIJZBVKNK-YFKPBYRVSA-N
Computed Properties
Structural Parameters
Heavy atom count
7
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
30.09
TPSA
29.26
LogP / Solubility
WLOGP
-0.35
MLOGP
-0.32
XLogP3
-0.5
Consensus LogP
-0.39
Log S (ESOL)
-0.17
Class (ESOL)
Very soluble
Log S (Ali)
-0.13
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.14
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)
-3.58
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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