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CAS 33842-14-7 Paroxetine Impurity 35 molecular structure lightbox
CAS RN: 33842-14-7

Paroxetine Impurity 35

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260611 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS33842-14-7
  • Purity/Analytical Methods: >99.0%
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33842-14-7 / 1-(1,3-benzodioxol-4-yl)ethanone

Standard CAS: 33842-14-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
33842-14-7
Multi CAS
No
Molecular Formula
C9H8O3
Molecular Weight
164.160000
Exact Mass
164.047344
InChI
InChI=1S/C9H8O3/c1-6(10)7-3-2-4-8-9(7)12-5-11-8/h2-4H,5H2,1H3
InChIKey
OFSKUXTYCXGOIU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
42.57
TPSA
35.53

LogP / Solubility

WLOGP
1.62
MLOGP
1.42
XLogP3
1.4
Consensus LogP
1.48
Log S (ESOL)
-2.18
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.07
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.19
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.57

Drug-likeness / Medicinal Chemistry

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

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