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CAS 937602-31-8 2,4,6-TRIFLUORO-N-METHOXY-N-METHYLBENZENECARBOXAMIDE molecular structure lightbox
CAS RN: 937602-31-8

2,4,6-TRIFLUORO-N-METHOXY-N-METHYLBENZENECARBOXAMIDE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250130 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS937602-31-8
  • Purity/Analytical Methods: >99.0%
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937602-31-8 / 2,4,6-trifluoro-N-methoxy-N-methylbenzamide

Standard CAS: 937602-31-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
937602-31-8
Multi CAS
No
Molecular Formula
C9F3H8NO2
Molecular Weight
219.160000
Exact Mass
219.050713
InChI
InChI=1S/C9H8F3NO2/c1-13(15-2)9(14)8-6(11)3-5(10)4-7(8)12/h3-4H,1-2H3
InChIKey
HLURWTIDWPYHAK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
45.42
TPSA
29.54

LogP / Solubility

WLOGP
1.74
MLOGP
1.53
XLogP3
1.7
Consensus LogP
1.66
Log S (ESOL)
-2.46
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.61
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.77
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.82

Drug-likeness / Medicinal Chemistry

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

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