CAS RN: 132370-95-7

(2,6-Diethylphenyl)hydrazine hydrochloride

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  • Product code: starshine_CAS132370-95-7
  • Purity/Analytical Methods: >99.0%
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132370-95-7 / (2,6-diethylphenyl)hydrazine;hydrochloride

Standard CAS: 132370-95-7 Multi CAS: No

Basic Information

CAS
132370-95-7
Multi CAS
No
Molecular Formula
C10H17ClN2
Molecular Weight
200.710000
Exact Mass
200.108026
SMILES
CCC1=C(C(=CC=C1)CC)NN.Cl
InChI
InChI=1S/C10H16N2.ClH/c1-3-8-6-5-7-9(4-2)10(8)12-11;/h5-7,12H,3-4,11H2,1-2H3;1H
InChIKey
UVLLWONKDNEWDL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
60.26
TPSA
38.05

LogP / Solubility

WLOGP
2.52
MLOGP
2.22
XLogP3
2.52
Consensus LogP
2.42
Log S (ESOL)
-2.81
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.02
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.42
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.16

Drug-likeness / Medicinal Chemistry

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

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