CAS RN: 105828-41-9
IMIDACLOPRID IMPURITY 1
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250724 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS105828-41-9
- Purity/Analytical Methods: >99.0%
105828-41-9 / N-[1,3-bis[(6-chloro-3-pyridinyl)methyl]imidazolidin-2-ylidene]nitramide
Imidacloprid Impurity 1 | 1,3-Bis[(6-chloro-3-pyridinyl)methyl]-N-nitro-2-imidazolidinimine | N-[1,3-bis[(6-chloropyridin-3-yl)methyl]imidazolidin-2-ylidene]nitramide
Basic Information
CAS
105828-41-9
Multi CAS
No
Molecular Formula
C15H14Cl2N6O2
Molecular Weight
381.200000
Exact Mass
380.055529
SMILES
C1CN(C(=N[N+](=O)[O-])N1CC2=CN=C(C=C2)Cl)CC3=CN=C(C=C3)Cl
InChI
InChI=1S/C15H14Cl2N6O2/c16-13-3-1-11(7-18-13)9-21-5-6-22(15(21)20-23(24)25)10-12-2-4-14(17)19-8-12/h1-4,7-8H,5-6,9-10H2
InChIKey
WTAOXHZROQPHRB-UHFFFAOYSA-N
Synonyms
Imidacloprid Impurity 1
1,3-Bis[(6-chloro-3-pyridinyl)methyl]-N-nitro-2-imidazolidinimine
N-[1,3-bis[(6-chloropyridin-3-yl)methyl]imidazolidin-2-ylidene]nitramide
N-(1,3-bis((6-chloropyridin-3-yl)methyl)imidazolidin-2-ylidene)nitramide
Imidacloprid Impurity 1?
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.27
Rotatable bonds
5
H-bond acceptors
4
Molar refractivity
93.74
TPSA
87.76
LogP / Solubility
WLOGP
2.65
MLOGP
2.35
XLogP3
2.7
Consensus LogP
2.57
Log S (ESOL)
-3.9
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.6
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.94
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.16
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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