CAS RN: 67306-00-7

Fenpropidin

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  • Product code: starshine_CAS67306-00-7
  • Purity/Analytical Methods: >99.0%
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67306-00-7 / 1-[3-(4-tert-butylphenyl)-2-methylpropyl]piperidine

Standard CAS: 67306-00-7 Multi CAS: Yes

Basic Information

CAS
67306-00-7
Multi CAS
Yes
Molecular Formula
C19H31N
Molecular Weight
273.500000
Exact Mass
273.245650
InChI
InChI=1S/C19H31N/c1-16(15-20-12-6-5-7-13-20)14-17-8-10-18(11-9-17)19(2,3)4/h8-11,16H,5-7,12-15H2,1-4H3
InChIKey
MGNFYQILYYYUBS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.68
Rotatable bonds
4
H-bond acceptors
1
Molar refractivity
88.3
TPSA
3.24

LogP / Solubility

WLOGP
4.65
MLOGP
4.1
XLogP3
5.5
Consensus LogP
4.75
Log S (ESOL)
-4.42
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.16
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.78
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.09

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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