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CAS 1072102-45-4 Pyrrolo[1,2-a]pyrazine, octahydro-3-Methyl-, (3S,8aR)- molecular structure lightbox
CAS RN: 1072102-45-4

Pyrrolo[1,2-a]pyrazine, octahydro-3-Methyl-, (3S,8aR)-

  • Product code: SSC-008687
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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
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1072102-45-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

1072102-45-4 / (3S,8aR)-3-methyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine

3-methyl-octahydropyrrolo[1,2-a]piperazine | 3-Methyl-octahydropyrrolo(1,2-a)piperazine | RefChem:504113

Standard CAS: 1072102-45-4 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1072102-45-4
Multi CAS
Yes
Molecular Formula
C8H16N2
Molecular Weight
140.230000
Exact Mass
140.131349
SMILES
C[C@H]1CN2CCC[C@@H]2CN1
InChI
InChI=1S/C8H16N2/c1-7-6-10-4-2-3-8(10)5-9-7/h7-9H,2-6H2,1H3/t7-,8+/m0/s1
InChIKey
ZUILOGVUGKBLHW-JGVFFNPUSA-N
Synonyms
3-methyl-octahydropyrrolo[1,2-a]piperazine 3-Methyl-octahydropyrrolo(1,2-a)piperazine RefChem:504113 856-344-4 3-methyloctahydropyrrolo[1,2-a]pyrazine

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
42.06
TPSA
15.27

LogP / Solubility

WLOGP
0.44
MLOGP
0.38
XLogP3
0.6
Consensus LogP
0.47
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
2.5

Safety & Transport

Pictogram(s)
Acute Toxic
Signal
Danger
GHS Hazard Statements
H310 (100%): Fatal in contact with skin [Danger Acute toxicity, dermal] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P262, P264, P264+P265, P270, P280, P302+P352, P305+P351+P338, P316, P321, P337+P317, P361+P364, P405, and P501

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