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CAS 823-86-9 4-chlorophenylhydroxylamine molecular structure lightbox
CAS RN: 823-86-9

4-chlorophenylhydroxylamine

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260123 5mg / 25mg / 50mg / 100mg / 200mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS823-86-9
  • Purity/Analytical Methods: >99.0%
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823-86-9 / N-(4-chlorophenyl)hydroxylamine

Standard CAS: 823-86-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
823-86-9
Multi CAS
Yes
Molecular Formula
C6H6CLNO
Molecular Weight
143.570000
Exact Mass
143.013792
InChI
InChI=1S/C6H6ClNO/c7-5-1-3-6(8-9)4-2-5/h1-4,8-9H
InChIKey
VVQDMDRAUXFEND-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
36.86
TPSA
32.26

LogP / Solubility

WLOGP
2.14
MLOGP
1.88
XLogP3
2
Consensus LogP
2.01
Log S (ESOL)
-2.51
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.28
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.49
Class (SILICOS-IT)
Moderately 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)
-2.08

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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