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CAS 83891-03-6 NORFLUOXETINE HYDROCHLORIDE molecular structure lightbox
CAS RN: 83891-03-6

NORFLUOXETINE HYDROCHLORIDE

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250304 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS83891-03-6
  • Purity/Analytical Methods: >99.0%
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83891-03-6 / 3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine

Standard CAS: 83891-03-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
83891-03-6
Multi CAS
Yes
Molecular Formula
C16F3H16NO
Molecular Weight
295.300000
Exact Mass
295.118399
InChI
InChI=1S/C16H16F3NO/c17-16(18,19)13-6-8-14(9-7-13)21-15(10-11-20)12-4-2-1-3-5-12/h1-9,15H,10-11,20H2
InChIKey
WIQRCHMSJFFONW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.25
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
1
Molar refractivity
74.93
TPSA
35.25

LogP / Solubility

WLOGP
4.17
MLOGP
3.68
XLogP3
3.5
Consensus LogP
3.78
Log S (ESOL)
-4.39
Class (ESOL)
Slightly soluble
Log S (Ali)
-5
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.64
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.56

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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