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CAS 100332-20-5 Paroxetine Impurity 5 molecular structure lightbox
CAS RN: 100332-20-5

Paroxetine Impurity 5

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250106 25mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS100332-20-5
  • Purity/Analytical Methods: >99.0%
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100332-20-5 / [(3S)-4-(4-fluorophenyl)-1-methylpiperidin-3-yl]methanol

Paroxetine Impurity 43 | Paroxetine Impurity 58 | SCHEMBL5593759

Standard CAS: 100332-20-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
100332-20-5
Multi CAS
Yes
Molecular Formula
C13H18FNO
Molecular Weight
223.290000
Exact Mass
223.137242
SMILES
CN1CCC([C@@H](C1)CO)C2=CC=C(C=C2)F
InChI
InChI=1S/C13H18FNO/c1-15-7-6-13(11(8-15)9-16)10-2-4-12(14)5-3-10/h2-5,11,13,16H,6-9H2,1H3/t11-,13?/m0/s1
InChIKey
CXRHUYYZISIIMT-AMGKYWFPSA-N
Synonyms
Paroxetine Impurity 43 Paroxetine Impurity 58 SCHEMBL5593759 ((3S,4S)-4-(4-fluorophenyl)-1-methylpiperidin-3-yl)methanol

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
61.83
TPSA
23.47

LogP / Solubility

WLOGP
1.85
MLOGP
1.63
XLogP3
1.8
Consensus LogP
1.76
Log S (ESOL)
-2.54
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.73
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.89
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)
-2.77

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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