CAS RN: 120738-89-8
Nitenpyram
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250608 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS120738-89-8
- Purity/Analytical Methods: >99.0%
120738-89-8 / 1-N'-[(6-chloro-3-pyridinyl)methyl]-1-N'-ethyl-1-N-methyl-2-nitroethene-1,1-diamine
RefChem:1090708 | N-((6-Chloro-3-pyridinyl)methyl)-N-ethyl-N'-methyl-2-nitro-1,1-ethenediamine | N-((6-Chloropyridin-3-yl)methyl)-N-ethyl-N-methyl-2-nitroethene-1,1-diamine
Basic Information
CAS
120738-89-8
Multi CAS
Yes
Molecular Formula
C11H15ClN4O2
Molecular Weight
270.710000
Exact Mass
270.088353
SMILES
CCN(CC1=CN=C(C=C1)Cl)C(=C[N+](=O)[O-])NC
InChI
InChI=1S/C11H15ClN4O2/c1-3-15(11(13-2)8-16(17)18)7-9-4-5-10(12)14-6-9/h4-6,8,13H,3,7H2,1-2H3
InChIKey
CFRPSFYHXJZSBI-UHFFFAOYSA-N
Synonyms
RefChem:1090708
N-((6-Chloro-3-pyridinyl)methyl)-N-ethyl-N'-methyl-2-nitro-1,1-ethenediamine
N-((6-Chloropyridin-3-yl)methyl)-N-ethyl-N-methyl-2-nitroethene-1,1-diamine
N-((6-chloropyridin-3-yl)methyl)-N-ethyl-N'-methyl-2-nitroethene-1,1-diamine
SCHEMBL25789
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
1
Molar refractivity
69.47
TPSA
71.3
LogP / Solubility
WLOGP
1.85
MLOGP
1.64
XLogP3
2.4
Consensus LogP
1.96
Log S (ESOL)
-2.54
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.12
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.68
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.06
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 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Not Classified
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501
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