![CAS 1818843-18-3 tert-butyl N-{[(2R,4S)-4-fluoropyrrolidin-2-yl]methyl}carbamate hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1818843-18-3.gif)
CAS RN: 1818843-18-3
tert-butyl N-{[(2R,4S)-4-fluoropyrrolidin-2-yl]methyl}carbamate hydrochloride
- Product code: SSC-082679
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
1818843-18-3 / tert-butyl N-[[(2R,4S)-4-fluoropyrrolidin-2-yl]methyl]carbamate;hydrochloride
Basic Information
CAS
1818843-18-3
Multi CAS
No
Molecular Formula
C10H20ClFN2O2
Molecular Weight
254.730000
Exact Mass
254.119734
SMILES
CC(C)(C)OC(=O)NC[C@H]1C[C@@H](CN1)F.Cl
InChI
InChI=1S/C10H19FN2O2.ClH/c1-10(2,3)15-9(14)13-6-8-4-7(11)5-12-8;/h7-8,12H,4-6H2,1-3H3,(H,13,14);1H/t7-,8+;/m0./s1
InChIKey
ZFUOQMCJMKAZMC-KZYPOYLOSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.9
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
62.79
TPSA
50.36
LogP / Solubility
WLOGP
1.63
MLOGP
1.44
XLogP3
1.63
Consensus LogP
1.57
Log S (ESOL)
-2.32
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.83
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.91
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.11
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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