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CAS 130855-30-0 PAROXETINE RELATED COMPOUND C (15 MG) ((+)-TRANS-PAROXETINE HYDROCHLORIDE) molecular structure lightbox
CAS RN: 130855-30-0

PAROXETINE RELATED COMPOUND C (15 MG) ((+)-TRANS-PAROXETINE HYDROCHLORIDE)

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250709 50mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS130855-30-0
  • Purity/Analytical Methods: >99.0%
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130855-30-0 / (3R,4S)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidine;hydrochloride

Standard CAS: 130855-30-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
130855-30-0
Multi CAS
No
Molecular Formula
C19H21ClFNO3
Molecular Weight
365.800000
Exact Mass
365.119399
SMILES
C1CNC[C@@H]([C@H]1C2=CC=C(C=C2)F)COC3=CC4=C(C=C3)OCO4.Cl
InChI
InChI=1S/C19H20FNO3.ClH/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18;/h1-6,9,14,17,21H,7-8,10-12H2;1H/t14-,17-;/m1./s1
InChIKey
GELRVIPPMNMYGS-SATBOSKTSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.37
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
95.43
TPSA
39.72

LogP / Solubility

WLOGP
3.75
MLOGP
3.32
XLogP3
3.75
Consensus LogP
3.61
Log S (ESOL)
-4.56
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.27
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.63
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.29

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4

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