CAS RN: 1546332-14-2
tert-butyl N-(3-fluorocyclohexyl)carbamate
- Product code: SSC-063975
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 |
1546332-14-2 / tert-butyl N-(3-fluorocyclohexyl)carbamate
Basic Information
CAS
1546332-14-2
Multi CAS
No
Molecular Formula
C11H20FNO2
Molecular Weight
217.280000
Exact Mass
217.147807
SMILES
CC(C)(C)OC(=O)NC1CCCC(C1)F
InChI
InChI=1S/C11H20FNO2/c1-11(2,3)15-10(14)13-9-6-4-5-8(12)7-9/h8-9H,4-7H2,1-3H3,(H,13,14)
InChIKey
LMGCOGYRDPYGEQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.91
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
56.52
TPSA
38.33
LogP / Solubility
WLOGP
2.79
MLOGP
2.46
XLogP3
2.6
Consensus LogP
2.62
Log S (ESOL)
-2.88
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.36
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.51
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.06
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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