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: 5g
- 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 |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
2007919-76-6 / [(2S)-1-methylazetidin-2-yl]methanamine;bis(2,2,2-trifluoroacetic acid)
Basic Information
CAS
2007919-76-6
Multi CAS
No
Molecular Formula
C9H14F6N2O4
Molecular Weight
328.210000
Exact Mass
328.085776
SMILES
CN1CC[C@H]1CN.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O
InChI
InChI=1S/C5H12N2.2C2HF3O2/c1-7-3-2-5(7)4-6;2*3-2(4,5)1(6)7/h5H,2-4,6H2,1H3;2*(H,6,7)/t5-;;/m0../s1
InChIKey
VKOUSHWUINTLGJ-XRIGFGBMSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Fraction Csp3
0.78
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
3
Molar refractivity
57.47
TPSA
103.86
LogP / Solubility
WLOGP
0.92
MLOGP
0.82
XLogP3
0.92
Consensus LogP
0.89
Log S (ESOL)
-2.39
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.91
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.67
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.07
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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![CAS 2007919-82-4 [(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]methanamine dihydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2007919-82-4.png)
