CAS RN: 56788-14-8

2H-Pyrido[4,3-d][1,3]oxazine-2,4(1H)-dione

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  • Product code: starshine_CAS56788-14-8
  • Purity/Analytical Methods: >99.0%
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56788-14-8 / 1H-pyrido[4,3-d][1,3]oxazine-2,4-dione

Standard CAS: 56788-14-8 Multi CAS: Yes

Basic Information

CAS
56788-14-8
Multi CAS
Yes
Molecular Formula
C7H4N2O3
Molecular Weight
164.120000
Exact Mass
164.022192
InChI
InChI=1S/C7H4N2O3/c10-6-4-3-8-2-1-5(4)9-7(11)12-6/h1-3H,(H,9,11)
InChIKey
UNXFCQGFUJLIOR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
10
H-bond acceptors
4
H-bond donors
1
Molar refractivity
40.9
TPSA
75.96

LogP / Solubility

WLOGP
-0.12
MLOGP
-0.11
Consensus LogP
-0.08
Log S (ESOL)
-1.4
Class (ESOL)
Soluble
Log S (Ali)
-0.82
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.62
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.81

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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