CAS RN: 2266569-73-5

UMB298

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6 package records3 with current stock1 grade group
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Batchno.20260227 10mg In stock Shanghai Inquiry
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  • Product code: starshine_CAS2266569-73-5
  • Purity/Analytical Methods: >99.0%
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2266569-73-5 / 2-[2-(3-chloro-4-methoxyphenyl)ethyl]-N-cyclohexyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-3-amine

Standard CAS: 2266569-73-5 Multi CAS: No

Basic Information

CAS
2266569-73-5
Multi CAS
No
Molecular Formula
C27H31ClN4O2
Molecular Weight
479.000000
Exact Mass
478.213554
SMILES
CC1=C(C(=NO1)C)C2=CC3=NC(=C(N3C=C2)NC4CCCCC4)CCC5=CC(=C(C=C5)OC)Cl
InChI
InChI=1S/C27H31ClN4O2/c1-17-26(18(2)34-31-17)20-13-14-32-25(16-20)30-23(27(32)29-21-7-5-4-6-8-21)11-9-19-10-12-24(33-3)22(28)15-19/h10,12-16,21,29H,4-9,11H2,1-3H3
InChIKey
NZXSWCLCRDCHGN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
34
Aromatic heavy atom count
20
Fraction Csp3
0.41
Rotatable bonds
7
H-bond acceptors
6
H-bond donors
1
Molar refractivity
136.07
TPSA
64.59

LogP / Solubility

WLOGP
6.8
MLOGP
6.02
XLogP3
7.6
Consensus LogP
6.81
Log S (ESOL)
-7.07
Class (ESOL)
Insoluble
Log S (Ali)
-8.4
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.26
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.82

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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