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CAS 51850-95-4 2,4-Dichloro-N-[(2,4-dichlorophenyl)methyl]-N-hydroxybenzenemethanamine molecular structure lightbox
CAS RN: 51850-95-4

2,4-Dichloro-N-[(2,4-dichlorophenyl)methyl]-N-hydroxybenzenemethanamine

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260331 1g / 5g / 10g / 25g / 100g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS51850-95-4
  • Purity/Analytical Methods: >99.0%
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51850-95-4 / N,N-bis[(2,4-dichlorophenyl)methyl]hydroxylamine

Standard CAS: 51850-95-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
51850-95-4
Multi CAS
Yes
Molecular Formula
C14H11CL4NO
Molecular Weight
351.000000
Exact Mass
350.956525
InChI
InChI=1S/C14H11Cl4NO/c15-11-3-1-9(13(17)5-11)7-19(20)8-10-2-4-12(16)6-14(10)18/h1-6,20H,7-8H2
InChIKey
UCOJEGLSMUGXIF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
83.96
TPSA
23.47

LogP / Solubility

WLOGP
5.69
MLOGP
5.03
XLogP3
5.3
Consensus LogP
5.34
Log S (ESOL)
-5.78
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.55
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.15
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
Yes
Log Kp (skin permeation)
-0.82

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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