CAS RN: 1003311-62-3

AMG-25

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Batchno.20251212 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1003311-62-3
  • Purity/Analytical Methods: >99.0%
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1003311-62-3 / 3-(2-aminoquinazolin-6-yl)-4-methyl-1-[4-(1,3-oxazol-2-yl)phenyl]pyridin-2-one

AMG-25 | c-Kit-IN-5-1 | 3-(2-aminoquinazolin-6-yl)-4-methyl-1-[4-(1,3-oxazol-2-yl)phenyl]pyridin-2-one

Standard CAS: 1003311-62-3 Multi CAS: No

Basic Information

CAS
1003311-62-3
Multi CAS
No
Molecular Formula
C23H17N5O2
Molecular Weight
395.400000
Exact Mass
395.138225
SMILES
CC1=C(C(=O)N(C=C1)C2=CC=C(C=C2)C3=NC=CO3)C4=CC5=CN=C(N=C5C=C4)N
InChI
InChI=1S/C23H17N5O2/c1-14-8-10-28(18-5-2-15(3-6-18)21-25-9-11-30-21)22(29)20(14)16-4-7-19-17(12-16)13-26-23(24)27-19/h2-13H,1H3,(H2,24,26,27)
InChIKey
IGFSMGCBFTXTJK-UHFFFAOYSA-N
Synonyms
AMG-25 c-Kit-IN-5-1 3-(2-aminoquinazolin-6-yl)-4-methyl-1-[4-(1,3-oxazol-2-yl)phenyl]pyridin-2-one 3-(2-aminoquinazolin-6-yl)-4-methyl-1-(4-(oxazol-2-yl)phenyl)pyridin-2(1H)-one CHEMBL525893

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
27
Fraction Csp3
0.04
Rotatable bonds
3
H-bond acceptors
7
H-bond donors
1
Molar refractivity
115.22
TPSA
99.83

LogP / Solubility

WLOGP
3.99
MLOGP
3.54
XLogP3
2.8
Consensus LogP
3.44
Log S (ESOL)
-5.28
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.69
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.9
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.3

Drug-likeness / Medicinal Chemistry

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

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