![CAS 1349719-23-8 [4-(Oxetan-3-yloxy)phenyl]methanamine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1349719-23-8.gif)
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 | Beijing | Inquiry |
1349719-23-8 / [4-(oxetan-3-yloxy)phenyl]methanamine
Basic Information
CAS
1349719-23-8
Multi CAS
No
Molecular Formula
C10H13NO2
Molecular Weight
179.220000
Exact Mass
179.094629
SMILES
C1C(CO1)OC2=CC=C(C=C2)CN
InChI
InChI=1S/C10H13NO2/c11-5-8-1-3-9(4-2-8)13-10-6-12-7-10/h1-4,10H,5-7,11H2
InChIKey
DJBYTGDFBZCFDU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
49.57
TPSA
44.48
LogP / Solubility
WLOGP
0.92
MLOGP
0.81
XLogP3
0.4
Consensus LogP
0.71
Log S (ESOL)
-1.68
Class (ESOL)
Soluble
Log S (Ali)
-1.7
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.95
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)
-3.16
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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![CAS 1349719-25-0 3-[3-(TrifluoroMethyl)phenyl]oxetan-3-aMine hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1349719-25-0.gif)
