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CAS 449811-92-1 Pyrido[2,3-d]pyriMidin-7(8H)-one, 6-(2,4-difluorophenoxy)-8-Methyl-2-[(tetrahydro-2H-pyran-4-yl)aMino]- molecular structure lightbox
CAS RN: 449811-92-1

Pyrido[2,3-d]pyriMidin-7(8H)-one, 6-(2,4-difluorophenoxy)-8-Methyl-2-[(tetrahydro-2H-pyran-4-yl)aMino]-

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Batchno.20260108 10mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS449811-92-1
  • Purity/Analytical Methods: >99.0%
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449811-92-1 / 6-(2,4-difluorophenoxy)-8-methyl-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one

Standard CAS: 449811-92-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
449811-92-1
Multi CAS
No
Molecular Formula
C19F2H18N4O3
Molecular Weight
388.400000
Exact Mass
388.134697
InChI
InChI=1S/C19H18F2N4O3/c1-25-17-11(10-22-19(24-17)23-13-4-6-27-7-5-13)8-16(18(25)26)28-15-3-2-12(20)9-14(15)21/h2-3,8-10,13H,4-7H2,1H3,(H,22,23,24)
InChIKey
KKKRKRMVJRHDMG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
16
Fraction Csp3
0.32
Rotatable bonds
4
H-bond acceptors
7
H-bond donors
1
Molar refractivity
98.67
TPSA
78.27

LogP / Solubility

WLOGP
2.99
MLOGP
2.65
XLogP3
2.8
Consensus LogP
2.81
Log S (ESOL)
-4.29
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.9
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.15
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.97

Drug-likeness / Medicinal Chemistry

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

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