![CAS 2055840-65-6 6,6-difluoro-2-azabicyclo[2.2.1]heptane hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2055840-65-6.png)
CAS RN: 2055840-65-6
6,6-difluoro-2-azabicyclo[2.2.1]heptane hydrochloride
- Product code: SSC-096784
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 | Beijing | Inquiry |
2055840-65-6 / 6,6-difluoro-2-azabicyclo[2.2.1]heptane;hydrochloride
Basic Information
CAS
2055840-65-6
Multi CAS
No
Molecular Formula
C6H10ClF2N
Molecular Weight
169.600000
Exact Mass
169.046983
SMILES
C1C2CC(C1NC2)(F)F.Cl
InChI
InChI=1S/C6H9F2N.ClH/c7-6(8)2-4-1-5(6)9-3-4;/h4-5,9H,1-3H2;1H
InChIKey
NTGJGSSRQVJJEJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
36.71
TPSA
12.03
LogP / Solubility
WLOGP
1.43
MLOGP
1.25
XLogP3
1.43
Consensus LogP
1.37
Log S (ESOL)
-1.79
Class (ESOL)
Soluble
Log S (Ali)
-1.98
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.95
Class (SILICOS-IT)
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)
-2.74
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5
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![CAS 2055840-67-8 1H-PYRROLO[3,4-C]PYRIDINE, 6-CHLORO-2,3-DIHYDRO-, HCL molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2055840-67-8.png)
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