CAS RN: 1357614-51-7
1-Boc-3-(4-bromophenyl)-3-fluoroazetidine
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.20250118 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-044358
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 | Shenzhen | Inquiry |
1357614-51-7 / tert-butyl 3-(4-bromophenyl)-3-fluoroazetidine-1-carboxylate
Basic Information
CAS
1357614-51-7
Multi CAS
No
Molecular Formula
C14H17BrFNO2
Molecular Weight
330.190000
Exact Mass
329.042670
SMILES
CC(C)(C)OC(=O)N1CC(C1)(C2=CC=C(C=C2)Br)F
InChI
InChI=1S/C14H17BrFNO2/c1-13(2,3)19-12(18)17-8-14(16,9-17)10-4-6-11(15)7-5-10/h4-7H,8-9H2,1-3H3
InChIKey
WMHGJPVZKDXWNI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
74.74
TPSA
29.54
LogP / Solubility
WLOGP
3.86
MLOGP
3.42
XLogP3
3.3
Consensus LogP
3.53
Log S (ESOL)
-4.49
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.06
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.13
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.99
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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