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CAS 854382-33-5 O-(2-Iodo-benzyl)-hydroxylamine hydrochloride molecular structure lightbox
CAS RN: 854382-33-5

O-(2-Iodo-benzyl)-hydroxylamine hydrochloride

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250301 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS854382-33-5
  • Purity/Analytical Methods: >99.0%
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854382-33-5 / O-[(2-iodophenyl)methyl]hydroxylamine;hydrochloride

Standard CAS: 854382-33-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
854382-33-5
Multi CAS
No
Molecular Formula
C8H9LiNO
Molecular Weight
285.510000
Exact Mass
284.941740
InChI
InChI=1S/C7H8INO.ClH/c8-7-4-2-1-3-6(7)5-10-9;/h1-4H,5,9H2;1H
InChIKey
VTIQMKPRPSMRJT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
55.38
TPSA
35.25

LogP / Solubility

WLOGP
2.1
MLOGP
1.86
XLogP3
2.1
Consensus LogP
2.02
Log S (ESOL)
-3.21
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.42
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.5
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.97

Drug-likeness / Medicinal Chemistry

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

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