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CAS 4024-34-4 2-[(p-methyl-alpha-phenylbenzyl)oxy]ethyl(dimethyl)ammonium chloride molecular structure lightbox
CAS RN: 4024-34-4

2-[(p-methyl-alpha-phenylbenzyl)oxy]ethyl(dimethyl)ammonium chloride

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251003 25mg / 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS4024-34-4
  • Purity/Analytical Methods: >99.0%
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4024-34-4 / dimethyl-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]azanium chloride

Standard CAS: 4024-34-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
4024-34-4
Multi CAS
Yes
Molecular Formula
C18H24CLNO
Molecular Weight
305.800000
Exact Mass
305.154642
InChI
InChI=1S/C18H23NO.ClH/c1-15-9-11-17(12-10-15)18(20-14-13-19(2)3)16-7-5-4-6-8-16;/h4-12,18H,13-14H2,1-3H3;1H
InChIKey
BNFDLGUZDIWYJK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.33
Rotatable bonds
6
H-bond acceptors
1
H-bond donors
1
Molar refractivity
83.09
TPSA
13.67

LogP / Solubility

WLOGP
-0.75
MLOGP
-0.65
XLogP3
-0.75
Consensus LogP
-0.72
Log S (ESOL)
-1.29
Class (ESOL)
Soluble
Log S (Ali)
-1.53
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.75
Class (SILICOS-IT)
Soluble

ADME

GI absorption
Low
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)
-5.12

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3

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