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CAS 39959-66-5 (+/-)-2,3-DICHLORO-ALPHA-METHYLBENZYLAMINE HYDROCHLORIDE molecular structure lightbox
CAS RN: 39959-66-5

(+/-)-2,3-DICHLORO-ALPHA-METHYLBENZYLAMINE HYDROCHLORIDE

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4 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260505 100mg Out of stock Inquiry
Batchno.20260313 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
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Batchno.20250814 250mg Out of stock Inquiry
  • Product code: starshine_CAS39959-66-5
  • Purity/Analytical Methods: >99.0%
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39959-66-5 / 1-(2,3-dichlorophenyl)ethanamine;hydrochloride

Standard CAS: 39959-66-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
39959-66-5
Multi CAS
Yes
Molecular Formula
C8H10CL3N
Molecular Weight
226.500000
Exact Mass
224.987882
InChI
InChI=1S/C8H9Cl2N.ClH/c1-5(11)6-3-2-4-7(9)8(6)10;/h2-5H,11H2,1H3;1H
InChIKey
FQTXPVLCCDQRHY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
56.31
TPSA
26.02

LogP / Solubility

WLOGP
3.43
MLOGP
3.03
XLogP3
3.43
Consensus LogP
3.3
Log S (ESOL)
-3.71
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.9
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.1
Class (SILICOS-IT)
Slightly 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)
-1.66

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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