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CAS 57966-95-7 Cymoxanil molecular structure lightbox
CAS RN: 57966-95-7

Cymoxanil

Product Availability

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3 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250918 1.2ml In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251219 1g In stock Shanghai Inquiry
Batchno.20251209 5g Out of stock Inquiry
  • Product code: ICTC2657
  • Purity/Analytical Methods: >98.0%(T)(HPLC)
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57966-95-7 / 2-(ethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide

Standard CAS: 57966-95-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
57966-95-7
Multi CAS
Yes
Molecular Formula
C7H10N4O3
Molecular Weight
198.180000
Exact Mass
198.075290
InChI
InChI=1S/C7H10N4O3/c1-3-9-7(13)10-6(12)5(4-8)11-14-2/h3H2,1-2H3,(H2,9,10,12,13)
InChIKey
XERJKGMBORTKEO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.43
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
2
Molar refractivity
47.27
TPSA
103.58

LogP / Solubility

WLOGP
-0.64
MLOGP
-0.57
XLogP3
0.7
Consensus LogP
-0.17
Log S (ESOL)
-0.47
Class (ESOL)
Very soluble
Log S (Ali)
-0.72
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.78
Class (SILICOS-IT)
Very 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)
-4.38

Drug-likeness / Medicinal Chemistry

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

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