![CAS 1638744-57-6 (8AR)-8A-METHYL-OCTAHYDROPYRROLO[1,2-A]PIPERAZINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1638744-57-6.gif)
CAS RN: 1638744-57-6
(8AR)-8A-METHYL-OCTAHYDROPYRROLO[1,2-A]PIPERAZINE
- Product code: SSC-071279
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 | Hong Kong | Inquiry |
1638744-57-6 / (8aR)-8a-methyl-2,3,4,6,7,8-hexahydro-1H-pyrrolo[1,2-a]pyrazine
Basic Information
CAS
1638744-57-6
Multi CAS
No
Molecular Formula
C8H16N2
Molecular Weight
140.230000
Exact Mass
140.131349
SMILES
C[C@]12CCCN1CCNC2
InChI
InChI=1S/C8H16N2/c1-8-3-2-5-10(8)6-4-9-7-8/h9H,2-7H2,1H3/t8-/m1/s1
InChIKey
IPGPAUBAGCJNHI-MRVPVSSYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
42.08
TPSA
15.27
LogP / Solubility
WLOGP
0.44
MLOGP
0.38
XLogP3
0.3
Consensus LogP
0.37
Log S (ESOL)
-0.99
Class (ESOL)
Very soluble
Log S (Ali)
-1.03
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.94
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)
-3.26
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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