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CAS 24358-65-4 (3,3-diphenylpropyl)diisopropylammonium chloride molecular structure lightbox
CAS RN: 24358-65-4

(3,3-diphenylpropyl)diisopropylammonium chloride

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250112 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS24358-65-4
  • Purity/Analytical Methods: >99.0%
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24358-65-4 / 3,3-diphenyl-N,N-di(propan-2-yl)propan-1-amine;hydrochloride

Standard CAS: 24358-65-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
24358-65-4
Multi CAS
No
Molecular Formula
C21H30ClN
Molecular Weight
331.900000
Exact Mass
331.206678
SMILES
CC(C)N(CCC(C1=CC=CC=C1)C2=CC=CC=C2)C(C)C.Cl
InChI
InChI=1S/C21H29N.ClH/c1-17(2)22(18(3)4)16-15-21(19-11-7-5-8-12-19)20-13-9-6-10-14-20;/h5-14,17-18,21H,15-16H2,1-4H3;1H
InChIKey
ZYMHFUWAJIWDKD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.43
Rotatable bonds
7
H-bond acceptors
1
H-bond donors
1
Molar refractivity
103.57
TPSA
3.24

LogP / Solubility

WLOGP
5.75
MLOGP
5.08
XLogP3
5.75
Consensus LogP
5.53
Log S (ESOL)
-5.44
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.43
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.43
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.66

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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