CAS RN: 90880-35-6

NEUROPEPTIDE Y (HUMAN, RAT)

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  • Product code: starshine_CAS90880-35-6
  • Purity/Analytical Methods: >99.0%
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90880-35-6 / 2-[(Z)-hex-3-enoxy]oxane

Standard CAS: 90880-35-6 Multi CAS: Yes

Basic Information

CAS
90880-35-6
Multi CAS
Yes
Molecular Formula
C11H20O2
Molecular Weight
184.270000
Exact Mass
184.146330
InChI
InChI=1S/C11H20O2/c1-2-3-4-6-9-12-11-8-5-7-10-13-11/h3-4,11H,2,5-10H2,1H3/b4-3-
InChIKey
SHZPEANSFIKVFI-ARJAWSKDSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.82
Rotatable bonds
5
H-bond acceptors
2
Molar refractivity
53.59
TPSA
18.46

LogP / Solubility

WLOGP
2.89
MLOGP
2.54
XLogP3
2.7
Consensus LogP
2.71
Log S (ESOL)
-2.47
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.15
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.85
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)
-1.8

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
2

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