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CAS 65920-18-5 Hydroxylamine, O-(2-bromoethyl)-, hydrobromide molecular structure lightbox
CAS RN: 65920-18-5

Hydroxylamine, O-(2-bromoethyl)-, hydrobromide

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Batchno.20260115 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS65920-18-5
  • Purity/Analytical Methods: >99.0%
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65920-18-5 / O-(2-bromoethyl)hydroxylamine;hydrobromide

Standard CAS: 65920-18-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
65920-18-5
Multi CAS
No
Molecular Formula
C2H7BR2NO
Molecular Weight
220.890000
Exact Mass
220.887390
InChI
InChI=1S/C2H6BrNO.BrH/c3-1-2-5-4;/h1-2,4H2;1H
InChIKey
HFMLWSMSMPBTFE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
6
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
34.26
TPSA
35.25

LogP / Solubility

WLOGP
0.85
MLOGP
0.75
XLogP3
0.85
Consensus LogP
0.82
Log S (ESOL)
-1.61
Class (ESOL)
Soluble
Log S (Ali)
-1.98
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.04
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)
-3.46

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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