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CAS 206193-17-1 (R)-3-broMo-N-(4-cyano-3-trifluoroMethylphenyl)-2-hydroxy-2-MethylpropionaMide molecular structure lightbox
CAS RN: 206193-17-1

(R)-3-broMo-N-(4-cyano-3-trifluoroMethylphenyl)-2-hydroxy-2-MethylpropionaMide

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250529 100mg / 500mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS206193-17-1
  • Purity/Analytical Methods: >99.0%
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206193-17-1 / (2R)-3-bromo-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide

Standard CAS: 206193-17-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
206193-17-1
Multi CAS
No
Molecular Formula
C12H10BrF3N2O2
Molecular Weight
351.120000
Exact Mass
349.987770
SMILES
C[C@](CBr)(C(=O)NC1=CC(=C(C=C1)C#N)C(F)(F)F)O
InChI
InChI=1S/C12H10BrF3N2O2/c1-11(20,6-13)10(19)18-8-3-2-7(5-17)9(4-8)12(14,15)16/h2-4,20H,6H2,1H3,(H,18,19)/t11-/m0/s1
InChIKey
JSZFXNCCDXABCT-NSHDSACASA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
69.21
TPSA
73.12

LogP / Solubility

WLOGP
2.66
MLOGP
2.36
XLogP3
2
Consensus LogP
2.34
Log S (ESOL)
-3.72
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.36
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.51
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
Yes
Log Kp (skin permeation)
-2.97

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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