CAS RN: 511543-63-8

(6-Bromonaphthalen-2-yl)hydrazine hydrochloride

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  • Product code: starshine_CAS511543-63-8
  • Purity/Analytical Methods: >99.0%
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511543-63-8 / (6-bromonaphthalen-2-yl)hydrazine;hydrochloride

Standard CAS: 511543-63-8 Multi CAS: No

Basic Information

CAS
511543-63-8
Multi CAS
No
Molecular Formula
C10H10BRCLN2
Molecular Weight
273.550000
Exact Mass
271.971590
InChI
InChI=1S/C10H9BrN2.ClH/c11-9-3-1-8-6-10(13-12)4-2-7(8)5-9;/h1-6,13H,12H2;1H
InChIKey
GIWWEKBQMCGTFM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
66.71
TPSA
38.05

LogP / Solubility

WLOGP
3.31
MLOGP
2.92
XLogP3
3.31
Consensus LogP
3.18
Log S (ESOL)
-4.08
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.19
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.31
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.04

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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