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CAS 132125-39-4 4,4′-DIPYRIDYL-D8 molecular structure lightbox
CAS RN: 132125-39-4

4,4′-DIPYRIDYL-D8

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3 package records2 with current stock1 grade group
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Batchno.20250811 100mg In stock Inquiry
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  • Product code: starshine_CAS132125-39-4
  • Purity/Analytical Methods: >99.0%
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132125-39-4 / 2,3,5,6-tetradeuterio-4-(2,3,5,6-tetradeuterio-4-pyridinyl)pyridine

Standard CAS: 132125-39-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
132125-39-4
Multi CAS
No
Molecular Formula
C10H8N2
Molecular Weight
164.230000
Exact Mass
164.118962
SMILES
[2H]C1=C(N=C(C(=C1C2=C(C(=NC(=C2[2H])[2H])[2H])[2H])[2H])[2H])[2H]
InChI
InChI=1S/C10H8N2/c1-5-11-6-2-9(1)10-3-7-12-8-4-10/h1-8H/i1D,2D,3D,4D,5D,6D,7D,8D
InChIKey
MWVTWFVJZLCBMC-PGRXLJNUSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
12
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
47.47
TPSA
25.78

LogP / Solubility

WLOGP
2.14
MLOGP
1.88
XLogP3
1.4
Consensus LogP
1.81
Log S (ESOL)
-2.83
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.39
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.57
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.15

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Acute Toxic Irritant
Signal
Danger
GHS Hazard Statements
H301 (100%): Toxic if swallowed [Danger 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+P316, 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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