CAS RN: 473720-30-8

AMG 487 (S-enantiomer)

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250701 2mg / 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS473720-30-8
  • Purity/Analytical Methods: >99.0%
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473720-30-8 / N-[(1S)-1-[3-(4-ethoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]ethyl]-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide

Standard CAS: 473720-30-8 Multi CAS: No

Basic Information

CAS
473720-30-8
Multi CAS
No
Molecular Formula
C32F3H28N5O4
Molecular Weight
603.600000
Exact Mass
603.209339
InChI
InChI=1S/C32H28F3N5O4/c1-3-43-25-14-10-24(11-15-25)40-30(38-29-27(31(40)42)7-5-17-37-29)21(2)39(20-23-6-4-16-36-19-23)28(41)18-22-8-12-26(13-9-22)44-32(33,34)35/h4-17,19,21H,3,18,20H2,1-2H3/t21-/m0/s1
InChIKey
WQTKNBPCJKRYPA-NRFANRHFSA-N

Computed Properties

Structural Parameters

Heavy atom count
44
Aromatic heavy atom count
28
Fraction Csp3
0.22
Rotatable bonds
10
H-bond acceptors
8
Molar refractivity
156.33
TPSA
99.44

LogP / Solubility

WLOGP
5.81
MLOGP
5.16
XLogP3
5.2
Consensus LogP
5.39
Log S (ESOL)
-7.05
Class (ESOL)
Insoluble
Log S (Ali)
-8.7
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.6
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.28

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Leadlikeness
No
Synthetic Accessibility
5.5

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