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CAS 286369-38-8 S 14506 hydrochloride molecular structure lightbox
CAS RN: 286369-38-8

S 14506 hydrochloride

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250224 5mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS286369-38-8
  • Purity/Analytical Methods: >99.0%
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286369-38-8 / 4-fluoro-N-[2-[4-(7-methoxynaphthalen-1-yl)piperazin-1-yl]ethyl]benzamide;hydrochloride

Standard CAS: 286369-38-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
286369-38-8
Multi CAS
No
Molecular Formula
C24H27CLFN3O2
Molecular Weight
443.900000
Exact Mass
443.177583
InChI
InChI=1S/C24H26FN3O2.ClH/c1-30-21-10-7-18-3-2-4-23(22(18)17-21)28-15-13-27(14-16-28)12-11-26-24(29)19-5-8-20(25)9-6-19;/h2-10,17H,11-16H2,1H3,(H,26,29);1H
InChIKey
HWLZKPKZVOLFGK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
16
Fraction Csp3
0.29
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
1
Molar refractivity
125.13
TPSA
44.81

LogP / Solubility

WLOGP
3.96
MLOGP
3.52
XLogP3
3.96
Consensus LogP
3.81
Log S (ESOL)
-5.07
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.06
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.55
Class (SILICOS-IT)
Insoluble

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)
-2.62

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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