CAS RN: 146726-40-1
Carbamic acid, (2-fluorocyclopropyl)-, 1,1-dimethylethyl ester, trans- (9CI)
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250528 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS146726-40-1
- Purity/Analytical Methods: >99.0%
146726-40-1 / tert-butyl N-[(1R,2R)-2-fluorocyclopropyl]carbamate
Basic Information
CAS
146726-40-1
Multi CAS
No
Molecular Formula
C8H14FNO2
Molecular Weight
175.200000
Exact Mass
175.100857
SMILES
CC(C)(C)OC(=O)N[C@@H]1C[C@H]1F
InChI
InChI=1S/C8H14FNO2/c1-8(2,3)12-7(11)10-6-4-5(6)9/h5-6H,4H2,1-3H3,(H,10,11)/t5-,6-/m1/s1
InChIKey
VWSDKMQGCVVQBV-PHDIDXHHSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.88
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
42.67
TPSA
38.33
LogP / Solubility
WLOGP
1.62
MLOGP
1.42
XLogP3
1.5
Consensus LogP
1.51
Log S (ESOL)
-1.88
Class (ESOL)
Soluble
Log S (Ali)
-2.17
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.26
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)
-2.64
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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