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CAS 6168-88-3 cis-2,2′-(1-methylpiperidine-2,6-diyl)bis[1-phenylethan-1-one] hydrochloride molecular structure lightbox
CAS RN: 6168-88-3

cis-2,2′-(1-methylpiperidine-2,6-diyl)bis[1-phenylethan-1-one] hydrochloride

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260111 100mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS6168-88-3
  • Purity/Analytical Methods: >99.0%
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6168-88-3 / 2-(1-methyl-6-phenacylpiperidin-1-ium-2-yl)-1-phenylethanone chloride

Standard CAS: 6168-88-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
6168-88-3
Multi CAS
Yes
Molecular Formula
C22H26CLNO2
Molecular Weight
371.900000
Exact Mass
371.165207
InChI
InChI=1S/C22H25NO2.ClH/c1-23-19(15-21(24)17-9-4-2-5-10-17)13-8-14-20(23)16-22(25)18-11-6-3-7-12-18;/h2-7,9-12,19-20H,8,13-16H2,1H3;1H/t19-,20+;
InChIKey
TVXBKVYKFXLEAI-AMDBCLDASA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.36
Rotatable bonds
6
H-bond acceptors
2
H-bond donors
1
Molar refractivity
99.09
TPSA
38.58

LogP / Solubility

WLOGP
-0.03
XLogP3
-0.03
Consensus LogP
-0.02
Log S (ESOL)
-2.07
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.59
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.77
Class (SILICOS-IT)
Moderately 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)
-5.01

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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