![CAS 2173637-06-2 (7S,8aR)-octahydropyrrolo[1,2-a]piperazin-7-ol dihydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2173637-06-2.png)
CAS RN: 2173637-06-2
(7S,8aR)-octahydropyrrolo[1,2-a]piperazin-7-ol dihydrochloride
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250826 | 1g / 5g / 10g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2173637-06-2
- Purity/Analytical Methods: >99.0%
2173637-06-2 / (7S,8aR)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-7-ol;dihydrochloride
Basic Information
CAS
2173637-06-2
Multi CAS
No
Molecular Formula
C7H16Cl2N2O
Molecular Weight
215.120000
Exact Mass
214.063969
SMILES
C1CN2C[C@H](C[C@@H]2CN1)O.Cl.Cl
InChI
InChI=1S/C7H14N2O.2ClH/c10-7-3-6-4-8-1-2-9(6)5-7;;/h6-8,10H,1-5H2;2*1H/t6-,7+;;/m1../s1
InChIKey
ITZJNNZPTJEMDN-VJBFUYBPSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
53.35
TPSA
35.5
LogP / Solubility
WLOGP
-0.13
MLOGP
-0.11
XLogP3
-0.13
Consensus LogP
-0.12
Log S (ESOL)
-1.09
Class (ESOL)
Soluble
Log S (Ali)
-1.23
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.95
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)
-4.13
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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