CAS RN: 127199-15-9
Carbamic acid, (2-fluorocyclopropyl)-, 1,1-dimethylethyl ester, (1S-cis)- (9CI)
- Product code: SSC-034692
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 |
127199-15-9 / tert-butyl N-[(1S,2R)-2-fluorocyclopropyl]carbamate
Basic Information
CAS
127199-15-9
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-RITPCOANSA-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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![CAS 127199-27-3 3-Quinolinecarboxylic acid, 8-chloro-6,7-difluoro-1-[(1R,2S)-2-fluorocyclopropyl]-1,4-dihydro-4-oxo- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/127199-27-3.gif)
![CAS 127199-44-4 Carbamic acid, (7R)-5-azaspiro[2.4]hept-7-yl-, 1,1-dimethylethyl ester (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/127199-44-4.gif)
![CAS 127199-45-5 Carbamic acid, (7S)-5-azaspiro[2.4]hept-7-yl-, 1,1-dimethylethyl ester (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/127199-45-5.gif)
