CAS RN: 1373923-02-4
2-(3-(Aminomethyl)oxetan-3-yl)acetic acid
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.20260311 | 100mg / 500mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-046929
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: 0.1g, 0.25g, 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.
1373923-02-4 / 2-[3-(aminomethyl)oxetan-3-yl]acetic acid
Basic Information
CAS
1373923-02-4
Multi CAS
No
Molecular Formula
C6H11NO3
Molecular Weight
145.160000
Exact Mass
145.073893
SMILES
C1C(CO1)(CC(=O)O)CN
InChI
InChI=1S/C6H11NO3/c7-2-6(1-5(8)9)3-10-4-6/h1-4,7H2,(H,8,9)
InChIKey
ZAMHPFVFKDSPMW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.83
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
34.56
TPSA
72.55
LogP / Solubility
WLOGP
-0.56
MLOGP
-0.5
XLogP3
-3.8
Consensus LogP
-1.62
Log S (ESOL)
-0.19
Class (ESOL)
Very soluble
Log S (Ali)
-0.34
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.5
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
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)
-4.01
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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