![CAS 1788054-75-0 (1R,2R,4S)-rel-7-Azabicyclo[2.2.1]heptan-2-ol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1788054-75-0.gif)
CAS RN: 1788054-75-0
(1R,2R,4S)-rel-7-Azabicyclo[2.2.1]heptan-2-ol
- Product code: SSC-079616
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 | Shanghai | Inquiry |
1788054-75-0 / (1R,2R,4S)-7-azabicyclo[2.2.1]heptan-2-ol;hydrochloride
Basic Information
CAS
1788054-75-0
Multi CAS
No
Molecular Formula
C6H12ClNO
Molecular Weight
149.620000
Exact Mass
149.060742
SMILES
C1C[C@@H]2[C@@H](C[C@H]1N2)O.Cl
InChI
InChI=1S/C6H11NO.ClH/c8-6-3-4-1-2-5(6)7-4;/h4-8H,1-3H2;1H/t4-,5+,6+;/m0./s1
InChIKey
YNVTZOIAXSPRQO-FPKZOZHISA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
37.82
TPSA
32.26
LogP / Solubility
WLOGP
0.29
MLOGP
0.25
XLogP3
0.29
Consensus LogP
0.28
Log S (ESOL)
-0.95
Class (ESOL)
Very soluble
Log S (Ali)
-1
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.88
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)
-3.42
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5
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