![CAS 1429296-98-9 rel-(7R,8aR)-octahydropyrrolo[1,2-a]pyrazin-7-ol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1429296-98-9.gif)
CAS RN: 1429296-98-9
rel-(7R,8aR)-octahydropyrrolo[1,2-a]pyrazin-7-ol
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.20250606 | 100mg / 250mg / 1g | Out of stock | 2 business days | Inquiry |
- Product code: starshine_CAS1429296-98-9
- Purity/Analytical Methods: >99.0%
1429296-98-9 / (7S,8aS)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-7-ol
Basic Information
CAS
1429296-98-9
Multi CAS
No
Molecular Formula
C7H14N2O
Molecular Weight
142.200000
Exact Mass
142.110613
SMILES
C1CN2C[C@H](C[C@H]2CN1)O
InChI
InChI=1S/C7H14N2O/c10-7-3-6-4-8-1-2-9(6)5-7/h6-8,10H,1-5H2/t6-,7-/m0/s1
InChIKey
VLVMRQREBYGIBY-BQBZGAKWSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
38.85
TPSA
35.5
LogP / Solubility
WLOGP
-0.98
MLOGP
-0.87
XLogP3
-0.8
Consensus LogP
-0.88
Log S (ESOL)
-0.11
Class (ESOL)
Very soluble
Log S (Ali)
-0.02
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.23
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
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)
-4.28
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
Safety & Transport
Pictogram(s)
Corrosive
Irritant
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501
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