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 |
69684-69-1 / methyl (2S)-azetidine-2-carboxylate;hydrochloride
Basic Information
CAS
69684-69-1
Multi CAS
Yes
Molecular Formula
C5H10CLNO2
Molecular Weight
151.590000
Exact Mass
151.040006
InChI
InChI=1S/C5H9NO2.ClH/c1-8-5(7)4-2-3-6-4;/h4,6H,2-3H2,1H3;1H/t4-;/m0./s1
InChIKey
FKHBGZKNRAUKEF-WCCKRBBISA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.8
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
35.67
TPSA
38.33
LogP / Solubility
WLOGP
-0.06
MLOGP
-0.06
XLogP3
-0.06
Consensus LogP
-0.06
Log S (ESOL)
-0.68
Class (ESOL)
Very soluble
Log S (Ali)
-0.76
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.72
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)
-3.69
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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