CAS RN: 1207853-03-9
4-AMino-2-fluoroMethyl-pyrrolidine-1-carboxylic acid tert-butyl
- Product code: SSC-022039
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 |
1207853-03-9 / tert-butyl (2S,4R)-4-amino-2-(fluoromethyl)pyrrolidine-1-carboxylate
tert-butyl 4-amino-2-(fluoromethyl)pyrrolidine-1-carboxylate | SCHEMBL3315631 | AKOS015900754
Basic Information
CAS
1207853-03-9
Multi CAS
Yes
Molecular Formula
C10H19FN2O2
Molecular Weight
218.270000
Exact Mass
218.143056
SMILES
CC(C)(C)OC(=O)N1C[C@@H](C[C@H]1CF)N
InChI
InChI=1S/C10H19FN2O2/c1-10(2,3)15-9(14)13-6-7(12)4-8(13)5-11/h7-8H,4-6,12H2,1-3H3/t7-,8+/m1/s1
InChIKey
QJBVSYYFYCEZGQ-SFYZADRCSA-N
Synonyms
tert-butyl 4-amino-2-(fluoromethyl)pyrrolidine-1-carboxylate
SCHEMBL3315631
AKOS015900754
DB-061809
tert-butyl4-amino-2-(fluoromethyl)pyrrolidine-1-carboxylate
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.9
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
55.3
TPSA
55.56
LogP / Solubility
WLOGP
1.29
MLOGP
1.14
XLogP3
0.8
Consensus LogP
1.08
Log S (ESOL)
-1.94
Class (ESOL)
Soluble
Log S (Ali)
-2.28
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.27
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)
-3.13
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
Customers Also Viewed
-
benzyl (3S,4R)-4-fluoro-3-hydroxypiperidine-1-carboxylate
- CAS RN: 1207853-10-8
- Product Code: SSC-022040
-
1-Piperidinecarboxylic acid, 3-aMino-4-fluoro-, phenylMethyl ester, (3R,4R)-rel-
- CAS RN: 1207853-15-3
- Product Code: SSC-022041
-
benzyl(2S,5R)-5-amino-2-methylpiperidine-1-carboxylate
- CAS RN: 1207853-23-3
- Product Code: SSC-022044
-
-
tert-butyl (2S,4R)-4-aMino-2-(MethoxyMethyl)pyrrolidine-1-carbox
- CAS RN: 1207853-53-9
- Product Code: SSC-022048
-
