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CAS 113570-68-6 2H-PYRIDO[1,2-A]PYRAZINE, OCTAHYDRO-, DIHYDROCHLORIDE molecular structure lightbox
CAS RN: 113570-68-6

2H-PYRIDO[1,2-A]PYRAZINE, OCTAHYDRO-, DIHYDROCHLORIDE

  • Product code: SSC-013667
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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 113570-68-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

113570-68-6 / 2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine;dihydrochloride

octahydro-1H-pyrido[1,2-a]piperazine dihydrochloride | octahydro-1H-pyrido(1,2-a)piperazine dihydrochloride | RefChem:855827

Standard CAS: 113570-68-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
113570-68-6
Multi CAS
No
Molecular Formula
C8H18Cl2N2
Molecular Weight
213.150000
Exact Mass
212.084704
SMILES
C1CCN2CCNCC2C1.Cl.Cl
InChI
InChI=1S/C8H16N2.2ClH/c1-2-5-10-6-4-9-7-8(10)3-1;;/h8-9H,1-7H2;2*1H
InChIKey
QZVLTIYFENRBIK-UHFFFAOYSA-N
Synonyms
octahydro-1H-pyrido[1,2-a]piperazine dihydrochloride octahydro-1H-pyrido(1,2-a)piperazine dihydrochloride RefChem:855827 966-466-0 Octahydro-1H-pyrido[1,2-a]pyrazine dihydrochloride

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
56.58
TPSA
15.27

LogP / Solubility

WLOGP
1.29
MLOGP
1.13
XLogP3
1.29
Consensus LogP
1.24
Log S (ESOL)
-1.97
Class (ESOL)
Soluble
Log S (Ali)
-2.24
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.11
Class (SILICOS-IT)
Moderately 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)
-3.11

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning 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+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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