[email protected]
CAS 179605-63-1 (S)-OCTAHYDRO-PYRIDO[1,2-A]PYRAZINE molecular structure lightbox
CAS RN: 179605-63-1

(S)-OCTAHYDRO-PYRIDO[1,2-A]PYRAZINE

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250126 250mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS179605-63-1
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

179605-63-1 / (9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine

Standard CAS: 179605-63-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
179605-63-1
Multi CAS
No
Molecular Formula
C8H16N2
Molecular Weight
140.230000
Exact Mass
140.131349
SMILES
C1CCN2CCNC[C@@H]2C1
InChI
InChI=1S/C8H16N2/c1-2-5-10-6-4-9-7-8(10)3-1/h8-9H,1-7H2/t8-/m0/s1
InChIKey
ONHPOXROAPYCGT-QMMMGPOBSA-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
0.5
Consensus LogP
0.44
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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

Customers Also Viewed

Get In Touch

Contact Us