CAS RN: 2416218-32-9
hydrochloride
Product Availability
Choose a grade to view its available package options.
4 package records1 with current stock1 grade group
- Product code: SSC-117984
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: ＞97%
- 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 | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
2416218-32-9 / [(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol;hydrochloride
Basic Information
CAS
2416218-32-9
Multi CAS
No
Molecular Formula
C8H15ClFNO
Molecular Weight
195.660000
Exact Mass
195.082620
SMILES
C1C[C@]2(C[C@H](CN2C1)F)CO.Cl
InChI
InChI=1S/C8H14FNO.ClH/c9-7-4-8(6-11)2-1-3-10(8)5-7;/h7,11H,1-6H2;1H/t7-,8+;/m1./s1
InChIKey
GCBSPHWFVLBTQX-WLYNEOFISA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
47.38
TPSA
23.47
LogP / Solubility
WLOGP
0.98
MLOGP
0.86
XLogP3
0.98
Consensus LogP
0.94
Log S (ESOL)
-1.6
Class (ESOL)
Soluble
Log S (Ali)
-1.87
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.86
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)
-3.22
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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![CAS 2416226-68-9 2-((2S,3S)-3-(tert-butyl)-4-(3,5-dicyclopentyl-2,6-dimethoxyphenyl)-2,3-dihydrobenzo[d][1,3]oxaphosphol-2-yl)propan-2-ol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2416226-68-9.gif)
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