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CAS 143257-97-0 Sameridine molecular structure lightbox
CAS RN: 143257-97-0

Sameridine

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250323 100mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS143257-97-0
  • Purity/Analytical Methods: >99.0%
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143257-97-0 / N-ethyl-1-hexyl-N-methyl-4-phenylpiperidine-4-carboxamide

Standard CAS: 143257-97-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
143257-97-0
Multi CAS
No
Molecular Formula
C21H34N2O
Molecular Weight
330.500000
Exact Mass
330.267114
SMILES
CCCCCCN1CCC(CC1)(C2=CC=CC=C2)C(=O)N(C)CC
InChI
InChI=1S/C21H34N2O/c1-4-6-7-11-16-23-17-14-21(15-18-23,20(24)22(3)5-2)19-12-9-8-10-13-19/h8-10,12-13H,4-7,11,14-18H2,1-3H3
InChIKey
TYWUGCGYWNSRPS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.67
Rotatable bonds
8
H-bond acceptors
2
Molar refractivity
101.25
TPSA
23.55

LogP / Solubility

WLOGP
4.08
MLOGP
3.61
XLogP3
4.4
Consensus LogP
4.03
Log S (ESOL)
-4.12
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.22
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.15
Class (SILICOS-IT)
Insoluble

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)
-1.84

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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