CAS RN: 74267-27-9

CALCIUM IONOPHORE II

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  • Product code: starshine_CAS74267-27-9
  • Purity/Analytical Methods: >99.0%
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74267-27-9 / N,N-dicyclohexyl-2-[2-(dicyclohexylamino)-2-oxoethoxy]acetamide

Standard CAS: 74267-27-9 Multi CAS: Yes

Basic Information

CAS
74267-27-9
Multi CAS
Yes
Molecular Formula
C28H48N2O3
Molecular Weight
460.700000
Exact Mass
460.366493
InChI
InChI=1S/C28H48N2O3/c31-27(29(23-13-5-1-6-14-23)24-15-7-2-8-16-24)21-33-22-28(32)30(25-17-9-3-10-18-25)26-19-11-4-12-20-26/h23-26H,1-22H2
InChIKey
URAUKAJXWWFQSU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Fraction Csp3
0.93
Rotatable bonds
8
H-bond acceptors
3
Molar refractivity
132
TPSA
49.85

LogP / Solubility

WLOGP
5.99
MLOGP
5.3
XLogP3
6.4
Consensus LogP
5.9
Log S (ESOL)
-5.94
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.66
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.59
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)
-1.28

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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