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CAS 1952-15-4 4-DIPHENYLACETOXY-N-METHYLPIPERIDINE METHIODIDE molecular structure lightbox
CAS RN: 1952-15-4

4-DIPHENYLACETOXY-N-METHYLPIPERIDINE METHIODIDE

Product Availability

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3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260305 10mg In stock Shanghai, Shandong Inquiry
Batchno.20250409 200mg Out of stock 5-7 business days Inquiry
Batchno.20250912 50mg In stock Shanghai, Guangdong Inquiry
  • Product code: starshine_CAS1952-15-4
  • Purity/Analytical Methods: >99.0%
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1952-15-4 / (1,1-dimethylpiperidin-1-ium-4-yl) 2,2-diphenylacetate iodide

Standard CAS: 1952-15-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1952-15-4
Multi CAS
No
Molecular Formula
C21H26INO2
Molecular Weight
451.300000
Exact Mass
451.100830
SMILES
C[N+]1(CCC(CC1)OC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)C.[I-]
InChI
InChI=1S/C21H26NO2.HI/c1-22(2)15-13-19(14-16-22)24-21(23)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18;/h3-12,19-20H,13-16H2,1-2H3;1H/q+1;/p-1
InChIKey
WWJHRSCUAQPFQO-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.38
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
95.68
TPSA
26.3

LogP / Solubility

WLOGP
0.6
MLOGP
0.56
XLogP3
0.6
Consensus LogP
0.59
Log S (ESOL)
-3.11
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.7
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.58
Class (SILICOS-IT)
Poorly 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)
-5.04

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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