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CAS 1895865-10-7 Enzalutamide Impurity 9 molecular structure lightbox
CAS RN: 1895865-10-7

Enzalutamide Impurity 9

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250225 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1895865-10-7
  • Purity/Analytical Methods: >99.0%
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1895865-10-7 / O-methyl N-[4-cyano-3-(trifluoromethyl)phenyl]carbamothioate

Standard CAS: 1895865-10-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1895865-10-7
Multi CAS
No
Molecular Formula
C10H7F3N2OS
Molecular Weight
260.240000
Exact Mass
260.023119
SMILES
COC(=S)NC1=CC(=C(C=C1)C#N)C(F)(F)F
InChI
InChI=1S/C10H7F3N2OS/c1-16-9(17)15-7-3-2-6(5-14)8(4-7)10(11,12)13/h2-4H,1H3,(H,15,17)
InChIKey
AQTURSQKWHQSPB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
59.39
TPSA
45.05

LogP / Solubility

WLOGP
2.92
MLOGP
2.58
XLogP3
2.7
Consensus LogP
2.73
Log S (ESOL)
-3.49
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.8
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.9
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.23

Drug-likeness / Medicinal Chemistry

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

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