CAS RN: 69693-13-6

Palvanil

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  • Product code: starshine_CAS69693-13-6
  • Purity/Analytical Methods: >99.0%
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69693-13-6 / N-[(4-hydroxy-3-methoxyphenyl)methyl]hexadecanamide

Standard CAS: 69693-13-6 Multi CAS: No

Basic Information

CAS
69693-13-6
Multi CAS
No
Molecular Formula
C24H41NO3
Molecular Weight
391.600000
Exact Mass
391.308644
InChI
InChI=1S/C24H41NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24(27)25-20-21-17-18-22(26)23(19-21)28-2/h17-19,26H,3-16,20H2,1-2H3,(H,25,27)
InChIKey
SGEUEXJZQFSBNX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
6
Fraction Csp3
0.71
Rotatable bonds
17
H-bond acceptors
3
H-bond donors
2
Molar refractivity
116.82
TPSA
58.56

LogP / Solubility

WLOGP
6.5
MLOGP
5.74
XLogP3
8
Consensus LogP
6.75
Log S (ESOL)
-5.4
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.46
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.64
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.49

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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