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CAS 937604-58-5 N-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)-2-CHLOROPROPANAMIDE molecular structure lightbox
CAS RN: 937604-58-5

N-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)-2-CHLOROPROPANAMIDE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250309 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS937604-58-5
  • Purity/Analytical Methods: >99.0%
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937604-58-5 / N-[3,5-bis(trifluoromethyl)phenyl]-2-chloropropanamide

Standard CAS: 937604-58-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
937604-58-5
Multi CAS
No
Molecular Formula
C11H8CLF6NO
Molecular Weight
319.630000
Exact Mass
319.019861
InChI
InChI=1S/C11H8ClF6NO/c1-5(12)9(20)19-8-3-6(10(13,14)15)2-7(4-8)11(16,17)18/h2-5H,1H3,(H,19,20)
InChIKey
CTMSTGZMZGUIBJ-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
1
H-bond donors
1
Molar refractivity
60.39
TPSA
29.1

LogP / Solubility

WLOGP
4.29
MLOGP
3.79
XLogP3
4.7
Consensus LogP
4.26
Log S (ESOL)
-4.61
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.28
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.54
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.62

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

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