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CAS 180409-60-3 CYFLUFENAMID molecular structure lightbox
CAS RN: 180409-60-3

CYFLUFENAMID

  • Product code: SSC-081196
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 180409-60-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

180409-60-3 / N-[(Z)-N-(cyclopropylmethoxy)-C-[2,3-difluoro-6-(trifluoromethyl)phenyl]carbonimidoyl]-2-phenylacetamide

Standard CAS: 180409-60-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
180409-60-3
Multi CAS
No
Molecular Formula
C20H17F5N2O2
Molecular Weight
412.400000
Exact Mass
412.121019
SMILES
C1CC1CO/N=C(/C2=C(C=CC(=C2F)F)C(F)(F)F)\NC(=O)CC3=CC=CC=C3
InChI
InChI=1S/C20H17F5N2O2/c21-15-9-8-14(20(23,24)25)17(18(15)22)19(27-29-11-13-6-7-13)26-16(28)10-12-4-2-1-3-5-12/h1-5,8-9,13H,6-7,10-11H2,(H,26,27,28)
InChIKey
ACMXQHFNODYQAT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
12
Fraction Csp3
0.3
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
1
Molar refractivity
94.86
TPSA
50.69

LogP / Solubility

WLOGP
4.43
MLOGP
3.92
XLogP3
5
Consensus LogP
4.45
Log S (ESOL)
-5.1
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.14
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.74
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.09

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

Safety & Transport

Pictogram(s)
Irritant Environmental Hazard
Signal
Warning
GHS Hazard Statements
H332 (65.1%): Harmful if inhaled [Warning Acute toxicity, inhalation] H400 (46.5%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] H410 (80.2%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard] H411 (19.8%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P261, P271, P273, P304+P340, P317, P391, and P501

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