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CAS 398473-34-2 JNJ 5207852 dihydrochloride molecular structure lightbox
CAS RN: 398473-34-2

JNJ 5207852 dihydrochloride

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260202 1mg / 5mg / 10mg / 25mg / 100mg Confirm by inquiry Shanghai 5-7 business days Inquiry
  • Product code: starshine_CAS398473-34-2
  • Purity/Analytical Methods: >99.0%
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398473-34-2 / 1-[3-[4-(piperidin-1-ylmethyl)phenoxy]propyl]piperidine

Standard CAS: 398473-34-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
398473-34-2
Multi CAS
Yes
Molecular Formula
C20H32N2O
Molecular Weight
316.500000
Exact Mass
316.251464
InChI
InChI=1S/C20H32N2O/c1-3-12-21(13-4-1)16-7-17-23-20-10-8-19(9-11-20)18-22-14-5-2-6-15-22/h8-11H,1-7,12-18H2
InChIKey
PTKHFRNHJULJKT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.7
Rotatable bonds
7
H-bond acceptors
3
Molar refractivity
95.97
TPSA
15.71

LogP / Solubility

WLOGP
3.93
MLOGP
3.47
XLogP3
3.8
Consensus LogP
3.73
Log S (ESOL)
-4.01
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.99
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.82
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.86

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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