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CAS 1015855-75-0 IMIDACLOPRID D4 (IMIDAZOLIDIN-4,4,5,5 D4) molecular structure lightbox
CAS RN: 1015855-75-0

IMIDACLOPRID D4 (IMIDAZOLIDIN-4,4,5,5 D4)

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Batchno.20251227 10mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1015855-75-0
  • Purity/Analytical Methods: >99.0%
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1015855-75-0 / N-[1-[(6-chloro-3-pyridinyl)methyl]-4,4,5,5-tetradeuterioimidazol-2-yl]nitramide

Imidacloprid-d4 | DTXSID40583589 | RefChem:1087178

Standard CAS: 1015855-75-0 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1015855-75-0
Multi CAS
Yes
Molecular Formula
C9H10ClN5O2
Molecular Weight
259.680000
Exact Mass
259.077409
SMILES
[2H]C1(C(N(C(=N1)N[N+](=O)[O-])CC2=CN=C(C=C2)Cl)([2H])[2H])[2H]
InChI
InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)/i3D2,4D2
InChIKey
YWTYJOPNNQFBPC-KHORGVISSA-N
Synonyms
Imidacloprid-d4 DTXSID40583589 RefChem:1087178 DTXCID40534354 1H-Imidazol-4,5-d2-2-amine, 1-[(6-chloro-3-pyridinyl)methyl]-4,5-dihydro-4,5-d2-N-nitro-

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
62.09
TPSA
83.66

LogP / Solubility

WLOGP
0.69
MLOGP
0.61
XLogP3
0.8
Consensus LogP
0.7
Log S (ESOL)
-1.92
Class (ESOL)
Soluble
Log S (Ali)
-2.15
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.25
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.79

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (97.4%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501

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