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CAS 329942-69-0 N-methoxy-N-methyl-3,5-bis(trifluoromethyl)benzamide molecular structure lightbox
CAS RN: 329942-69-0

N-methoxy-N-methyl-3,5-bis(trifluoromethyl)benzamide

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260512 100mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS329942-69-0
  • Purity/Analytical Methods: >99.0%
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329942-69-0 / N-methoxy-N-methyl-3,5-bis(trifluoromethyl)benzamide

Standard CAS: 329942-69-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
329942-69-0
Multi CAS
No
Molecular Formula
C11F6H9NO2
Molecular Weight
301.180000
Exact Mass
301.053748
InChI
InChI=1S/C11H9F6NO2/c1-18(20-2)9(19)6-3-7(10(12,13)14)5-8(4-6)11(15,16)17/h3-5H,1-2H3
InChIKey
WELUYJDNVYZAIA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
55.55
TPSA
29.54

LogP / Solubility

WLOGP
3.36
MLOGP
2.97
XLogP3
3.2
Consensus LogP
3.18
Log S (ESOL)
-3.91
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.45
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.64
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.17

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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