CAS RN: 1407997-79-8
(R)-2-Aminomethyl-1-methyl-4,4-difluoropyrrolidine
- Product code: SSC-051279
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 | Beijing | Inquiry |
1407997-79-8 / [(2R)-4,4-difluoro-1-methylpyrrolidin-2-yl]methanamine
Basic Information
CAS
1407997-79-8
Multi CAS
No
Molecular Formula
C6H12F2N2
Molecular Weight
150.170000
Exact Mass
150.096855
SMILES
CN1CC(C[C@@H]1CN)(F)F
InChI
InChI=1S/C6H12F2N2/c1-10-4-6(7,8)2-5(10)3-9/h5H,2-4,9H2,1H3/t5-/m1/s1
InChIKey
DCEFDJSAWWFGRW-RXMQYKEDSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
35.04
TPSA
29.26
LogP / Solubility
WLOGP
0.28
MLOGP
0.24
XLogP3
0.2
Consensus LogP
0.24
Log S (ESOL)
-0.88
Class (ESOL)
Very soluble
Log S (Ali)
-1
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.99
Class (SILICOS-IT)
Very 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)
-3.43
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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