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CAS 27433-55-2 AKOS 91437 molecular structure lightbox
CAS RN: 27433-55-2

AKOS 91437

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251022 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS27433-55-2
  • Purity/Analytical Methods: >99.0%
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27433-55-2 / 2-methyl-6H-[1,3]oxazolo[5,4-d]pyrimidin-7-one

Standard CAS: 27433-55-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
27433-55-2
Multi CAS
No
Molecular Formula
C6H5N3O2
Molecular Weight
151.120000
Exact Mass
151.038176
SMILES
CC1=NC2=C(O1)N=CNC2=O
InChI
InChI=1S/C6H5N3O2/c1-3-9-4-5(10)7-2-8-6(4)11-3/h2H,1H3,(H,7,8,10)
InChIKey
VHNKDSNYFRHJMK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.17
H-bond acceptors
4
H-bond donors
1
Molar refractivity
37.16
TPSA
71.78

LogP / Solubility

WLOGP
0.22
MLOGP
0.19
XLogP3
0.2
Consensus LogP
0.2
Log S (ESOL)
-1.52
Class (ESOL)
Soluble
Log S (Ali)
-0.96
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.82
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)
-3.49

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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