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CAS 5636-83-9 DIMETHINDENE molecular structure lightbox
CAS RN: 5636-83-9

DIMETHINDENE

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251214 100mg In stock Shanghai Inquiry
Batchno.20251226 25mg In stock Shanghai Inquiry
Batchno.20251219 50mg In stock Shanghai Inquiry
  • Product code: starshine_CAS5636-83-9
  • Purity/Analytical Methods: >99.0%
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5636-83-9 / N,N-dimethyl-2-[3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]ethanamine

Standard CAS: 5636-83-9 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
5636-83-9
Multi CAS
Yes
Molecular Formula
C20H24N2
Molecular Weight
292.400000
Exact Mass
292.193949
InChI
InChI=1S/C20H24N2/c1-15(19-10-6-7-12-21-19)20-17(11-13-22(2)3)14-16-8-4-5-9-18(16)20/h4-10,12,15H,11,13-14H2,1-3H3
InChIKey
MVMQESMQSYOVGV-UHFFFAOYSA-N

Physical Properties

Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.35
Rotatable bonds
5
H-bond acceptors
2
Molar refractivity
92.89
TPSA
16.13

LogP / Solubility

WLOGP
4.15
MLOGP
3.66
XLogP3
2.7
Consensus LogP
3.5
Log S (ESOL)
-4.34
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.95
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.6
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.56

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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