![CAS 1818847-71-0 tert-butyl N-[1-(2,2-difluoroethyl)azetidin-3-yl]carbamate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1818847-71-0.gif)
CAS RN: 1818847-71-0
tert-butyl N-[1-(2,2-difluoroethyl)azetidin-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.20250629 | 250mg / 500mg / 1g | Out of stock | 1 business days | Inquiry |
- Product code: SSC-082698
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 | Hong Kong | Inquiry |
1818847-71-0 / tert-butyl N-[1-(2,2-difluoroethyl)azetidin-3-yl]carbamate
Basic Information
CAS
1818847-71-0
Multi CAS
No
Molecular Formula
C10H18F2N2O2
Molecular Weight
236.260000
Exact Mass
236.133634
SMILES
CC(C)(C)OC(=O)NC1CN(C1)CC(F)F
InChI
InChI=1S/C10H18F2N2O2/c1-10(2,3)16-9(15)13-7-4-14(5-7)6-8(11)12/h7-8H,4-6H2,1-3H3,(H,13,15)
InChIKey
AFLLUKJZXKYRRU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.9
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
55.6
TPSA
41.57
LogP / Solubility
WLOGP
1.46
MLOGP
1.29
XLogP3
1.7
Consensus LogP
1.48
Log S (ESOL)
-2.03
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.55
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.77
Class (SILICOS-IT)
Moderately 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)
-3.12
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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