![CAS 889948-10-1 [1-(4-amino-phenyl)-azetidin-3-yl]-cabamic acid tert-butyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/889948-10-1.gif)
CAS RN: 889948-10-1
[1-(4-amino-phenyl)-azetidin-3-yl]-cabamic acid tert-butyl ester
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.20260324 | 100mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-200759
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 |
889948-10-1 / tert-butyl N-[1-(4-aminophenyl)azetidin-3-yl]carbamate
Basic Information
CAS
889948-10-1
Multi CAS
No
Molecular Formula
C14H21N3O2
Molecular Weight
263.340000
Exact Mass
263.163377
InChI
InChI=1S/C14H21N3O2/c1-14(2,3)19-13(18)16-11-8-17(9-11)12-6-4-10(15)5-7-12/h4-7,11H,8-9,15H2,1-3H3,(H,16,18)
InChIKey
HVVRSUVDZYKWCV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
76.23
TPSA
67.59
LogP / Solubility
WLOGP
1.98
MLOGP
1.75
XLogP3
1.9
Consensus LogP
1.88
Log S (ESOL)
-2.82
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.15
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.26
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.92
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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