CAS RN: 1416323-32-4
tert-Butyl (3-(3-bromophenyl)oxetan-3-yl)carbamate
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.20260630 | 100mg / 500mg | Out of stock | 15 business days | Inquiry |
- Product code: SSC-052035
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 | Shanghai | Inquiry |
1416323-32-4 / tert-butyl N-[3-(3-bromophenyl)oxetan-3-yl]carbamate
Basic Information
CAS
1416323-32-4
Multi CAS
No
Molecular Formula
C14H18BrNO3
Molecular Weight
328.200000
Exact Mass
327.047010
SMILES
CC(C)(C)OC(=O)NC1(COC1)C2=CC(=CC=C2)Br
InChI
InChI=1S/C14H18BrNO3/c1-13(2,3)19-12(17)16-14(8-18-9-14)10-5-4-6-11(15)7-10/h4-7H,8-9H2,1-3H3,(H,16,17)
InChIKey
SKVXUXJMWRHVQR-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
3
H-bond donors
1
Molar refractivity
76.01
TPSA
47.56
LogP / Solubility
WLOGP
3.2
MLOGP
2.83
XLogP3
2.6
Consensus LogP
2.88
Log S (ESOL)
-3.99
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.56
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.69
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.45
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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