CAS RN: 923884-15-5

3-METHYL-6-PHENYLISOXAZOLO[5,4-B]PYRIDINE-4-CARBOXYLIC ACID

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Batchno.20250318 50mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS923884-15-5
  • Purity/Analytical Methods: >99.0%
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923884-15-5 / 3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid

Standard CAS: 923884-15-5 Multi CAS: No

Basic Information

CAS
923884-15-5
Multi CAS
No
Molecular Formula
C14H10N2O3
Molecular Weight
254.240000
Exact Mass
254.069142
InChI
InChI=1S/C14H10N2O3/c1-8-12-10(14(17)18)7-11(15-13(12)19-16-8)9-5-3-2-4-6-9/h2-7H,1H3,(H,17,18)
InChIKey
NNKBJIAZFVEYII-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
15
Fraction Csp3
0.07
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
68.94
TPSA
76.22

LogP / Solubility

WLOGP
2.9
MLOGP
2.56
XLogP3
2.6
Consensus LogP
2.69
Log S (ESOL)
-3.69
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.74
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.96
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.21

Drug-likeness / Medicinal Chemistry

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

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