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CAS 1392493-34-3 Cyantraniliprole-D3 molecular structure lightbox
CAS RN: 1392493-34-3

Cyantraniliprole-D3

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250727 1mg / 5mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1392493-34-3
  • Purity/Analytical Methods: >99.0%
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1392493-34-3 / 3-bromo-1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-methyl-6-(trideuteriomethylcarbamoyl)phenyl]pyrazole-5-carboxamide

Standard CAS: 1392493-34-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1392493-34-3
Multi CAS
No
Molecular Formula
C19H14BrClN6O2
Molecular Weight
476.700000
Exact Mass
475.023840
SMILES
[2H]C([2H])([2H])NC(=O)C1=C(C(=CC(=C1)C#N)C)NC(=O)C2=CC(=NN2C3=C(C=CC=N3)Cl)Br
InChI
InChI=1S/C19H14BrClN6O2/c1-10-6-11(9-22)7-12(18(28)23-2)16(10)25-19(29)14-8-15(20)26-27(14)17-13(21)4-3-5-24-17/h3-8H,1-2H3,(H,23,28)(H,25,29)/i2D3
InChIKey
DVBUIBGJRQBEDP-BMSJAHLVSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
17
Fraction Csp3
0.11
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
2
Molar refractivity
111.31
TPSA
112.7

LogP / Solubility

WLOGP
3.48
MLOGP
3.09
XLogP3
3.9
Consensus LogP
3.49
Log S (ESOL)
-5.14
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.95
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.1
Class (SILICOS-IT)
Insoluble

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)
-3.14

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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