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CAS 35113-89-4 (2,4-DICHLORO-PHENYL)-ETHYL-AMINE molecular structure lightbox
CAS RN: 35113-89-4

(2,4-DICHLORO-PHENYL)-ETHYL-AMINE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250621 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS35113-89-4
  • Purity/Analytical Methods: >99.0%
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35113-89-4 / 2-(2,4-dichlorophenyl)ethanamine

Standard CAS: 35113-89-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
35113-89-4
Multi CAS
Yes
Molecular Formula
C8H9CL2N
Molecular Weight
190.070000
Exact Mass
189.011205
InChI
InChI=1S/C8H9Cl2N/c1-2-11-8-4-3-6(9)5-7(8)10/h3-5,11H,2H2,1H3
InChIKey
XPCHQESFRULWBG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
49.22
TPSA
26.02

LogP / Solubility

WLOGP
2.49
MLOGP
2.19
XLogP3
2.5
Consensus LogP
2.39
Log S (ESOL)
-2.86
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.92
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.21
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)
-2.11

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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