CAS RN: 1189419-41-7
Nicosulfuron-d6
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20260416 | 1mg | Out of stock | Inquiry |
- Product code: starshine_CAS1189419-41-7
- Purity/Analytical Methods: >99.0%
1189419-41-7 / 2-[[4,6-bis(trideuteriomethoxy)pyrimidin-2-yl]carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide
Nicosulfuron | DTXSID6034764 | SL-950
Basic Information
CAS
1189419-41-7
Multi CAS
Yes
Molecular Formula
C15H18N6O6S
Molecular Weight
416.400000
Exact Mass
416.138514
SMILES
[2H]C([2H])([2H])OC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=C(C=CC=N2)C(=O)N(C)C)OC([2H])([2H])[2H]
InChI
InChI=1S/C15H18N6O6S/c1-21(2)13(22)9-6-5-7-16-12(9)28(24,25)20-15(23)19-14-17-10(26-3)8-11(18-14)27-4/h5-8H,1-4H3,(H2,17,18,19,20,23)/i3D3,4D3
InChIKey
RTCOGUMHFFWOJV-LIJFRPJRSA-N
Synonyms
Nicosulfuron
DTXSID6034764
SL-950
CG297D9264
CHEBI:7554
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
12
Fraction Csp3
0.27
Rotatable bonds
6
H-bond acceptors
9
H-bond donors
2
Molar refractivity
96.73
TPSA
152.71
LogP / Solubility
WLOGP
0.1
MLOGP
0.11
XLogP3
0.6
Consensus LogP
0.27
Log S (ESOL)
-2.37
Class (ESOL)
Moderately soluble
Log S (Ali)
-3
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.13
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
Low
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)
-5.15
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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